SCHEMBL9105313

SCHEMBL9105313

CCNS(=O)(=O)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.53
FEN1 P39748 5/20 0.53
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
EDNRA P25101 2/20 0.40
EDNRB P24530 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL7617752 0.85 OPRM1 (0.43) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL9108107 0.83 ALOX5AP (0.56) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL2280981 0.82 ALOX5AP (0.54) ALOX5APFEN1OPRM1OPRK1
SCHEMBL7176660 0.82 FEN1 (0.55) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL7348499 0.79 OPRM1 (0.43) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL7179227 0.79 ALOX5AP (0.52) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL1458690 0.76 CES2 (0.41) OPRM1OPRK1F10ALDH1A1
SCHEMBL9396641 0.74 CASP1 (0.48) ALOX5APFEN1OPRM1OPRK1EDNRA
SCHEMBL28810677 0.74 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL10476295 0.74 ALDH1A1 (0.63) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed