SCHEMBL7009099

SCHEMBL7009099

O=C(Nc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.56
HTR1A P08908 4/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTT P42858 1/20 0.40
NOS3 P29474 3/20 0.40
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL7004667 0.88 HTR1F (0.66) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7014886 0.88 HTR1F (0.73) HTR1FHTR1AHTR1DHTR1BDRD2
SCHEMBL7009808 0.87 HTR1F (0.62) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7009440 0.87 HTR1F (0.58) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7008625 0.86 HTR1F (0.75) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011190 0.85 HTR1F (0.57) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011710 0.85 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011170 0.84 HTR1F (0.65) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7010825 0.84 HTR1F (0.60) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7015438 0.83 HTR1F (0.58) HTR1FHTR1AHTR1DHTR1BSIGMAR1

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 6 patents. 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-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5919936-A 5-HT1F AGONIST INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5817671-A ANTISEROTONIN AGENT; ANALGESICS; MIGRAINE THERAPY; COMPOUND CONTAINING PYRROLO(3,2-B)PYRIDINE RING ELI LILLY AND COMPANY (US) 1998-10-06 US disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed