SCHEMBL7279720

SCHEMBL7279720

CCCCc1ccc(C(C(N)=O)N2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.41
OPRM1 P35372 6/20 0.41
GLS O94925 1/20 0.41
SPHK1 Q9NYA1 5/20 0.41
SPHK2 Q9NRA0 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRL1 P41146 1/20 0.39
OPRK1 P41145 2/20 0.38

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
SCHEMBL7429204 0.86 SPHK1 (0.41) SPHK1SPHK2ALDH1A1HPGDHSD17B10
SCHEMBL7289664 0.83 CHRM2 (0.43) OPRD1OPRM1OPRK1
SCHEMBL7282061 0.82 EPHX1 (0.54) OPRD1ALDH1A1
SCHEMBL7292487 0.81 KDM4E (0.45) OPRD1OPRM1GLSALDH1A1OPRK1
SCHEMBL10837604 0.80 OPRD1 (0.37) OPRD1OPRM1GLSOPRK1
SCHEMBL7278715 0.79 OPRD1 (0.50) OPRD1OPRM1
SCHEMBL7278992 0.76 CYP2D6 (0.58) OPRD1OPRM1ALDH1A1
SCHEMBL793646 0.76 OPRD1 (0.60) OPRD1OPRM1GLS
SCHEMBL7279116 0.76 OPRD1 (0.44) OPRD1OPRM1GLSALDH1A1
SCHEMBL7288846 0.76 CHRM2 (0.55) OPRD1OPRM1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed