SCHEMBL7140886

SCHEMBL7140886

Cc1[nH]c2ccc(NC(=O)c3cnc4ccccc4n3)cc2c1CCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.60
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ABCB1 P08183 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
HTR6 P50406 3/20 0.47
HTR7 P34969 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2B P41595 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 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
SCHEMBL7140329 0.89 HTR1F (0.62) HTR1FRAB9ANPC1MAPTMEN1
SCHEMBL7138192 0.81 HTR1F (0.80) HTR1FRAB9ANPC1MAPTMEN1
SCHEMBL7655272 0.79 HTR1F (0.68) HTR1FRAB9ANPC1MEN1ALDH1A1
SCHEMBL7660364 0.79 HTR1F (0.71) HTR1FRAB9AMAPTMEN1ALDH1A1
SCHEMBL7146433 0.79 HTR1F (0.73) HTR1FRAB9ANPC1MAPTMEN1
SCHEMBL7658018 0.79 HTR1F (0.64) HTR1FRAB9ANPC1MEN1ALDH1A1
SCHEMBL7147525 0.79 HTR1F (0.67) HTR1FMAPTGAAMEN1ALDH1A1
SCHEMBL7146872 0.79 HTR1F (0.61) HTR1FALDH1A1HTR6HTR7ADRA2A
SCHEMBL7146399 0.79 HTR1F (0.61) HTR1FRAB9AMAPTGAAMEN1
SCHEMBL7141202 0.78 HTR1F (0.69) HTR1FRAB9ANPC1MAPTMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-5998630-A A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
WO-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed