SCHEMBL8611280

SCHEMBL8611280

O=C(Nc1cc(C2CCN(CCc3ccccc3)CC2)c[nH]1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8609905 0.88 HTR1F (0.51) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL8585768 0.87 NPC1 (0.52)
SCHEMBL8583210 0.86 HTR1A (0.56)
SCHEMBL8613872 0.83 SIGMAR1 (0.48) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL8583266 0.80 RAB9A (0.44)
SCHEMBL8582998 0.76 DRD2 (0.52) SIGMAR1
SCHEMBL7010718 0.75 HTR1F (0.77)
SCHEMBL17512173 0.75 SIGMAR1 (0.67) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL8586783 0.74 CHRM1 (0.48) SIGMAR1
SCHEMBL8585332 0.73 SIGMAR1 (0.55) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed