SCHEMBL6972305

SCHEMBL6972305

O=C(NCCc1ccccn1)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 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
SCHEMBL6979637 0.93 ALDH1A1 (0.40) SMN1; SMN2RAB9AOPRD1OPRK1OPRM1
SCHEMBL6981402 0.89 ADRA1A (0.38) OPRD1OPRK1ALDH1A1LMNATAAR1
SCHEMBL6967337 0.88 OPRD1 (0.39) OPRD1OPRK1OPRM1TAAR1EPHX1
SCHEMBL6965167 0.87 FPR3 (0.45) FPR3SMN1; SMN2CNR1POLBRAB9A
SCHEMBL6973626 0.87 OPRD1 (0.40) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL6971228 0.86 ADRA1A (0.44) POLBOPRD1OPRK1OPRM1HPGD
SCHEMBL6980217 0.86 ACHE (0.43) SMN1; SMN2CNR1OPRD1KDM4EALDH1A1
SCHEMBL6969075 0.86 OPRD1 (0.38) OPRD1OPRK1OPRM1
SCHEMBL6969796 0.85 OPRD1 (0.42) OPRD1OPRK1OPRM1ALDH1A1LMNA
SCHEMBL6978058 0.85 ADRA1A (0.46) OPRD1OPRK1KDM4EALDH1A1LMNA

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