SCHEMBL6924532

SCHEMBL6924532

C=CCN1CCN(C(c2ccc(-c3nnn(CCCC(=O)O)n3)cc2)c2cccc(C(C)(C)C)c2O[SiH](C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.41
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LTA4H P09960 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL6919717 0.87 P2RX7 (0.42) OPRD1OPRM1OPRK1
SCHEMBL6652027 0.78 OPRD1 (0.50) OPRD1USP2TP53CYP1A2CYP2C9
SCHEMBL6652014 0.78 OPRD1 (0.50) OPRD1USP2TP53CYP1A2CYP2C9
SCHEMBL6652019 0.78 OPRD1 (0.50) OPRD1USP2TP53CYP1A2CYP2C9
SCHEMBL6657412 0.78 OPRD1 (0.47) OPRD1USP2TP53CYP1A2CYP2C9
SCHEMBL6924540 0.78 OPRD1 (0.47) OPRD1USP2TP53CYP1A2CYP2C9
SCHEMBL6927106 0.75 OPRD1 (0.41) OPRD1OPRM1OPRK1
SCHEMBL6654705 0.69 OPRD1 (0.48) OPRD1USP2OPRM1OPRK1
SCHEMBL6654701 0.69 OPRD1 (0.48) OPRD1USP2OPRM1OPRK1
SCHEMBL6654713 0.69 OPRD1 (0.48) OPRD1USP2OPRM1OPRK1

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
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed