SCHEMBL6973626

SCHEMBL6973626

CC(=O)NCCNC(=O)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.40
ADRA1A P35348 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 10/20 0.39
OPRL1 P41146 1/20 0.39
OPRM1 P35372 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6967337 0.91 OPRD1 (0.39) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6971228 0.91 ADRA1A (0.44) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6969796 0.90 OPRD1 (0.42) OPRD1OPRK1OPRL1OPRM1ALDH1A1
SCHEMBL6978058 0.89 ADRA1A (0.46) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6980217 0.89 ACHE (0.43) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6969075 0.89 OPRD1 (0.38) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6976571 0.88 ADRA1A (0.40) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6980365 0.88 OPRL1 (0.37) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6972305 0.87 FPR3 (0.44) OPRD1OPRK1OPRM1EPHX1EPHX2
SCHEMBL6974993 0.86 CCR3 (0.41) OPRD1OPRK1OPRL1OPRM1ALDH1A1

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