SCHEMBL5879382

SCHEMBL5879382

CCN(CC)C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCN(Cc3ccc[nH]3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.58
OPRM1 P35372 17/20 0.58
OPRK1 P41145 13/20 0.58

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
SCHEMBL5829817 0.91 OPRD1 (0.46) OPRD1OPRM1OPRK1
SCHEMBL5487773 0.87 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL5879366 0.87 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879405 0.86 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5879357 0.86 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL5879394 0.85 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879397 0.85 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL5879355 0.85 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5879330 0.84 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5879398 0.84 OPRD1 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064137-B2 Analgesics; anxiolytic agents; gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-20 US claimed