SCHEMBL8990957

SCHEMBL8990957

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.43
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
KCNA5 P22460 3/20 0.31
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL8990881 0.95 GHSR (0.44) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8991083 0.94 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990853 0.93 GHSR (0.37) GHSRKCNA5KCNH2OPRM1OPRK1
SCHEMBL8990751 0.93 GHSR (0.47) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL8991009 0.92 GHSR (0.42) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8991001 0.92 GHSR (0.42) GHSR
SCHEMBL8990873 0.89 GHSR (0.43) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8991037 0.88 GHSR (0.44) GHSRDRD2DRD4DRD3KCNA5
SCHEMBL8990759 0.87 GHSR (0.48) GHSRDRD2DRD4DRD3
SCHEMBL8990795 0.87 GHSR (0.43) GHSR

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-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed