SCHEMBL7198822

SCHEMBL7198822

CCN(CC)C(=O)c1ccc(C2(c3ccccc3NC(=O)O)CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.49
OPRK1 P41145 5/20 0.48
OPRM1 P35372 4/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 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
SCHEMBL7198825 0.88 OPRD1 (0.53) OPRD1OPRK1OPRM1KCNH2
SCHEMBL7198440 0.88 OPRD1 (0.64) OPRD1OPRK1OPRM1ALDH1A1KCNH2
SCHEMBL6598891 0.84 OPRD1 (0.58) OPRD1OPRK1OPRM1ALDH1A1KCNH2
SCHEMBL6598904 0.80 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL6601274 0.78 OPRD1 (0.60) OPRD1OPRK1OPRM1CYP2D6KCNH2
SCHEMBL6599265 0.78 OPRD1 (0.59) OPRD1OPRK1OPRM1ALDH1A1CYP2D6
SCHEMBL6598126 0.77 OPRD1 (0.58) OPRD1OPRK1OPRM1
SCHEMBL6600513 0.76 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1CYP2D6
SCHEMBL7227860 0.75 OPRD1 (0.56) OPRD1OPRK1OPRM1
SCHEMBL5784349 0.74 OPRD1 (0.73) OPRD1OPRK1OPRM1KCNH2

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-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed