SCHEMBL6967337

SCHEMBL6967337

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.39
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 11/20 0.38
OPRL1 P41146 1/20 0.38
CHRM4 P08173 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CCR3 P51677 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
OPRM1 P35372 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 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
SCHEMBL6980365 0.93 OPRL1 (0.37) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6973626 0.91 OPRD1 (0.40) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6980217 0.91 ACHE (0.43) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6971228 0.91 ADRA1A (0.44) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6969075 0.90 OPRD1 (0.38) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6976571 0.89 ADRA1A (0.40) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6969796 0.89 OPRD1 (0.42) OPRD1OPRK1OPRL1CCR3OPRM1
SCHEMBL6979664 0.89 OPRD1 (0.37) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6978058 0.89 ADRA1A (0.46) OPRD1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6972305 0.88 FPR3 (0.44) OPRD1OPRK1TAAR1OPRM1EPHX1

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