Sugi Predict

Sugi Predict / Compounds / SCHEMBL6980054

SCHEMBL6980054

SCHEMBL6980054

NC(=O)OC1CCCN1C(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.40
▸ OPRK1 P41145 11/20 0.40
▸ OPRM1 P35372 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL6974363 0.88 HTR1A (0.41) OPRD1OPRK1GAA
SCHEMBL6969717 0.84 OPRD1 (0.39) OPRD1OPRK1CNR1CNR2
SCHEMBL6970176 0.82 OPRD1 (0.45) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6977389 0.82 OPRD1 (0.44) OPRD1OPRK1OPRM1GAA
SCHEMBL6968136 0.81 OPRD1 (0.44) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6972934 0.81 PKM (0.45) OPRD1OPRK1OPRM1GAA
SCHEMBL6972306 0.80 CYP2D6 (0.39) OPRD1OPRK1KCNH2GAA
SCHEMBL6965660 0.80 CHRM4 (0.43) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6973203 0.79 CYP11B2 (0.42) OPRD1OPRK1CHRM2CHRM3
SCHEMBL6981816 0.79 OPRD1 (0.48) OPRD1OPRK1OPRM1GAA

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
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 — — EP claimed