SCHEMBL6652019

SCHEMBL6652019

C=CCN1CCN([C@H](c2ccc(-c3nnn(CCCC(=O)O)n3)cc2)c2cccc(O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.50
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL6652014 1.00 OPRD1 (0.50) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6652027 1.00 OPRD1 (0.50) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6654705 0.88 OPRD1 (0.48) OPRD1OPRM1OPRK1USP2
SCHEMBL6654713 0.88 OPRD1 (0.48) OPRD1OPRM1OPRK1USP2
SCHEMBL6654701 0.88 OPRD1 (0.48) OPRD1OPRM1OPRK1USP2
SCHEMBL6651784 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6651777 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6651771 0.88 OPRD1 (0.54) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6652876 0.85 OPRD1 (0.54) OPRD1OPRM1OPRK1USP2TP53
SCHEMBL6652878 0.85 OPRD1 (0.54) OPRD1OPRM1OPRK1USP2TP53

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