SCHEMBL6980433

SCHEMBL6980433

NC(=O)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.42
OPRK1 P41145 9/20 0.42
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL6974993 0.93 CCR3 (0.41) OPRD1OPRK1CCR3ALDH1A1LMNA
SCHEMBL6969796 0.89 OPRD1 (0.42) OPRD1OPRK1CCR3ALDH1A1LMNA
SCHEMBL6978640 0.89 OPRD1 (0.40) OPRD1OPRK1CCR3ALDH1A1LMNA
SCHEMBL6969075 0.88 OPRD1 (0.38) OPRD1OPRK1CCR3OPRM1OPRL1
SCHEMBL6967337 0.87 OPRD1 (0.39) OPRD1OPRK1CCR3OPRM1OPRL1
SCHEMBL6981032 0.86 OPRD1 (0.38) OPRD1OPRK1CCR3OPRM1OPRL1
SCHEMBL6973626 0.86 OPRD1 (0.40) OPRD1OPRK1ALDH1A1LMNAGAA
SCHEMBL6980095 0.85 OPRD1 (0.38) OPRD1OPRK1ALDH1A1LMNAGAA
SCHEMBL6971228 0.85 ADRA1A (0.44) OPRD1OPRK1OPRM1OPRL1KMT2A
SCHEMBL6980217 0.85 ACHE (0.43) OPRD1CCR3ALDH1A1GAASMN1; SMN2

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