SCHEMBL6979637

SCHEMBL6979637

O=C(NCc1ccccn1)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 1/20 0.39
OPRD1 P41143 4/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
OPRL1 P41146 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 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
SCHEMBL6972305 0.93 FPR3 (0.44) ALDH1A1SMN1; SMN2OPRD1MAPTOPRK1
SCHEMBL6967337 0.88 OPRD1 (0.39) OPRD1OPRK1OPRM1OPRL1
SCHEMBL6966745 0.87 HTT (0.41) ALDH1A1SMN1; SMN2ACKR3OPRD1OPRK1
SCHEMBL6969075 0.87 OPRD1 (0.38) OPRD1OPRK1OPRM1OPRL1
SCHEMBL6978119 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ACKR3OPRD1MAPT
SCHEMBL6973626 0.86 OPRD1 (0.40) ALDH1A1OPRD1OPRK1OPRM1LMNA
SCHEMBL6969796 0.86 OPRD1 (0.42) ALDH1A1OPRD1OPRK1OPRM1LMNA
SCHEMBL6980217 0.85 ACHE (0.43) ALDH1A1SMN1; SMN2OPRD1
SCHEMBL6971228 0.85 ADRA1A (0.44) ACKR3OPRD1OPRK1OPRM1KMT2A
SCHEMBL6974993 0.84 CCR3 (0.41) ALDH1A1OPRD1OPRK1OPRM1LMNA

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