SCHEMBL5879356

SCHEMBL5879356

CCN(CC)C(=O)c1ccc(N(c2cc(C(N)=O)ccc2F)C2CCN(Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.65
OPRM1 P35372 16/20 0.65
OPRK1 P41145 13/20 0.65
CHRM2 P08172 1/20 0.48
CHRM3 P20309 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
SCHEMBL5879397 0.93 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL5879405 0.91 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL5879320 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL5879344 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5879372 0.87 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL5490804 0.86 OPRD1 (0.85) OPRD1OPRM1OPRK1
SCHEMBL5879381 0.85 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL5879362 0.85 OPRD1 (0.73) OPRD1OPRM1OPRK1CHRM2CHRM3
SCHEMBL5879378 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1
SCHEMBL5879359 0.83 OPRD1 (0.65) 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