SCHEMBL7760134

SCHEMBL7760134

CC(N)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.54
CALCRL Q16602 4/20 0.54
F2 P00734 1/20 0.52
OPRD1 P41143 3/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL7760143 1.00 ACE (0.54) ACECALCRLF2OPRD1OPRM1
SCHEMBL30560036 0.89 OPRD1 (0.60) F2OPRD1OPRM1
SCHEMBL1939266 0.86 F2 (0.60) ACECALCRLF2OPRD1OPRM1
SCHEMBL27846710 0.86 F2 (0.60) ACECALCRLF2OPRD1OPRM1
SCHEMBL1939264 0.86 F2 (0.60) ACECALCRLF2OPRD1OPRM1
SCHEMBL31674456 0.85 OPRM1 (0.62) CALCRLOPRM1OPRK1
SCHEMBL29680203 0.84 KDM1A (0.56) CALCRLOPRK1
SCHEMBL31674468 0.84 OPRM1 (0.58) CALCRLF2OPRM1OPRK1
SCHEMBL31683752 0.84 KEAP1 (0.56) CALCRLOPRD1OPRM1OPRK1
SCHEMBL31290242 0.83 OPRD1 (0.56) F2OPRD1OPRM1

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
WO-2001086303-A2 RAPID TESTS FOR HERBICIDE RESISTANCE IN GRASSES HARPER ADAMS UNIVERSITY COLLEGE (GB) 2001-11-15 WO disclosed