SCHEMBL7009440

SCHEMBL7009440

O=C(Nc1ccc2[nH]cc(C3=CCN(CCc4ccccc4)CC3)c2n1)c1ccsc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 8/20 0.58
HTR1A P08908 6/20 0.51
HTR1D P28221 3/20 0.51
HTR1B P28222 3/20 0.51
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39

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 0.91 HTR1F (0.66) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7009808 0.88 HTR1F (0.62) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011710 0.87 HTR1F (0.76) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7009099 0.87 HTR1F (0.56) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7015438 0.86 HTR1F (0.58) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7008625 0.85 HTR1F (0.75) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011190 0.85 HTR1F (0.57) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7011170 0.84 HTR1F (0.65) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7010825 0.84 HTR1F (0.60) HTR1FHTR1AHTR1DHTR1BSIGMAR1
SCHEMBL7095378 0.81 HTR1F (0.54) HTR1FHTR1ASIGMAR1TMEM97KDM4E

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