SCHEMBL6956308

SCHEMBL6956308

O=C(Oc1ccc2[nH]cc(C3CCNCC3)c2c1)C(=O)Oc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.57
HTR2C P28335 2/20 0.54
ADRB2 P07550 1/20 0.54
APP P05067 1/20 0.53
NMT2 O60551 1/20 0.50
NMT1 P30419 1/20 0.50
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR4 Q13639 2/20 0.47
HTR1F P30939 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
THPO P40225 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2264043 0.82 HTR2C (0.60) HTR6HTR2CADRB2APPMTNR1A
Hydrochloric Acid SCHEMBL11847902 0.81 HTR2C (0.59) HTR6HTR2CADRB2APPMTNR1A
SCHEMBL8876508 0.79 HTR6 (0.55) HTR6HTR2CADRB2APPNMT2
SCHEMBL8879367 0.79 HTR6 (0.57) HTR6HTR2CADRB2APPNMT2
SCHEMBL3549500 0.77 CYP1A2 (0.68) HTR6HTR2CADRB2APPNMT2
Oxalic Acid SCHEMBL6956302 0.77 NPSR1 (0.60) HTR6HTR2CADRB2APPNMT2
SCHEMBL4781939 0.77 HTR1D (0.64) HTR6HTR2CADRB2APPNMT2
SCHEMBL2266162 0.77 APP (0.54) HTR6HTR2CADRB2APPNMT2
SCHEMBL5705128 0.75 HTR2C (0.56) HTR6HTR2CADRB2APPCYP1A2
SCHEMBL25079814 0.75 HTR2C (0.58) HTR6HTR2CADRB2APPMTNR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-0929299-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-2-DIBENZOFURANAMINES AND 2-AMINOCYCLOHEPTA(b)BENZOFURANS LILLY CO ELI (US) 2003-10-08 EP disclosed
EP-0916670-B1 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
EP-0708102-B1 5-HT1F agonists for the treatment of migraine LILLY CO ELI (US) 2002-12-11 EP disclosed
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
CN-1284874-A 5-HT1F agonists LILLY CO ELI (US) 2001-02-21 CN disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
WO-1997000244-A1 PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521196-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed
WO-1996011006-A1 5-HT1F MEDIATED INHIBITION OF NEUROGENIC MENINGEAL EXTRAVASATION ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
EP-0705600-A1 Use of 5-HT1F-receptor agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-10 EP disclosed