SCHEMBL6657055

SCHEMBL6657055

COc1ccc(CN2C[C@H](C)N(C(c3cccc(O)c3)c3ccccc3C#N)C[C@H]2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45

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
SCHEMBL6659217 0.91
SCHEMBL6653260 0.90 OPRD1 (0.42) OPRD1
SCHEMBL6653646 0.88
SCHEMBL6653162 0.85 OPRD1 (0.44) OPRD1
SCHEMBL8030090 0.83 CYP1A2 (0.45) OPRD1
SCHEMBL6653135 0.83 CYP1A2 (0.45) OPRD1
SCHEMBL6932686 0.81 OPRD1 (0.58) OPRD1
SCHEMBL8081871 0.81 OPRD1 (0.58) OPRD1
SCHEMBL6654469 0.80 CYP1A2 (0.38) OPRD1
SCHEMBL6652556 0.79 CYP1A2 (0.38) OPRD1

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-B1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LTD (GB) 2004-06-23 EP disclosed
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed