SCHEMBL9818613

SCHEMBL9818613

CCc1cccc(CC)c1N(C(N)=O)C1(c2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.40
OPRL1 P41146 11/20 0.40
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6963041 0.66 OPRM1 (0.44) OPRM1OPRK1
SCHEMBL27701529 0.65 OPRM1 (0.40) OPRM1OPRL1HDAC4
SCHEMBL22101935 0.65 OPRL1 (0.82) OPRM1OPRL1OPRK1
Bicarbonate SCHEMBL5156531 0.65 OPRL1 (0.67) OPRM1OPRL1OPRK1
SCHEMBL11543475 0.65 GABRA1 (0.43) ALDH1A1
Bicarbonate SCHEMBL5162054 0.63 OPRL1 (0.64) OPRM1OPRL1OPRK1
SCHEMBL15776154 0.63 AKR1C1 (0.53) PRCPSIGMAR1ALDH1A1POLBSLC6A4
SCHEMBL11142530 0.62 TP53 (0.35) OPRM1ALDH1A1HDAC4
SCHEMBL6696399 0.62 GABRA1 (0.41) ALDH1A1
SCHEMBL7382859 0.61 OPRL1 (0.50) OPRM1OPRL1OPRK1SLC6A4

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-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed