SCHEMBL7520705

SCHEMBL7520705

Cc1nc(COCc2csc(C)n2)cs1.O=C(c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.43
CHRM3 P20309 8/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 1/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SCN9A Q15858 6/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6967499 0.87 CHRM2 (0.45) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6970176 0.80 OPRD1 (0.45) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6965179 0.79 OPRD1 (0.50) CHRM2CHRM3MEN1KMT2AOPRD1
SCHEMBL6968136 0.79 OPRD1 (0.44) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6974605 0.78 OPRD1 (0.44) OPRD1OPRK1
SCHEMBL6970267 0.76 POLB (0.46) MEN1KMT2AOPRD1OPRK1
SCHEMBL6965660 0.76 CHRM4 (0.43) CHRM2CHRM3OPRD1OPRK1
SCHEMBL6972934 0.75 PKM (0.45) OPRD1OPRK1
SCHEMBL6981816 0.75 OPRD1 (0.48) OPRD1OPRK1
SCHEMBL6977389 0.74 OPRD1 (0.44) OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed