SCHEMBL6978058

SCHEMBL6978058

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.46
ADRA2A P08913 6/20 0.46
ADRA2B P18089 6/20 0.46
ADRA2C P18825 6/20 0.46
ADRA1D P25100 6/20 0.46
ADRA1B P35368 6/20 0.46
OPRL1 P41146 1/20 0.41
OPRD1 P41143 7/20 0.40
OPRK1 P41145 6/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 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
SCHEMBL6971228 0.95 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6973626 0.89 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6967337 0.89 OPRD1 (0.39) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6976571 0.89 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965116 0.89 ADRA1A (0.49) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969796 0.87 OPRD1 (0.42) OPRL1OPRD1OPRK1ALDH1A1LMNA
SCHEMBL6980365 0.87 OPRL1 (0.37) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6980217 0.87 ACHE (0.43) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969075 0.87 OPRD1 (0.38) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6972305 0.85 FPR3 (0.44) 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