SCHEMBL6971228

SCHEMBL6971228

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1B P35368 2/20 0.44
OPRL1 P41146 1/20 0.42
OPRD1 P41143 11/20 0.41
OPRK1 P41145 9/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.38
ACKR3 P25106 1/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL6978058 0.95 ADRA1A (0.46) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6973626 0.91 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6967337 0.91 OPRD1 (0.39) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6980365 0.90 OPRL1 (0.37) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969796 0.89 OPRD1 (0.42) OPRL1OPRD1OPRK1OPRM1
SCHEMBL6980217 0.88 ACHE (0.43) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975294 0.88 ADRA1A (0.47) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969075 0.88 OPRD1 (0.38) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6976571 0.87 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6972305 0.86 FPR3 (0.44) OPRD1OPRK1POLBHPGDOPRM1

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