SCHEMBL8028486

SCHEMBL8028486

C=CCN1CCN([C@H](c2ccc(C3(CC(=O)O)N=NN=N3)cc2)c2cccc(O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.53
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL6935776 0.79 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL2752684 0.79 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL8028515 0.76 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL6654151 0.75 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL6654141 0.75 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL6654146 0.75 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL7971485 0.75 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL15764534 0.74 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL252534 0.74 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL6652027 0.73 OPRD1 (0.50) OPRD1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983251-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed