SCHEMBL8991042

SCHEMBL8991042

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(C(F)(F)F)cc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
TACR1 P25103 2/20 0.43
AGTR1 P30556 1/20 0.40
FPR2 P25090 3/20 0.34
FPR1 P21462 2/20 0.34
APOB P04114 2/20 0.34
MTTP P55157 2/20 0.34
MCHR1 Q99705 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32

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
SCHEMBL8990729 0.91 GHSR (0.57) GHSRTACR1AGTR1MCHR1OPRM1
SCHEMBL8990824 0.89 GHSR (0.49) GHSRTACR1AGTR1MCHR1
SCHEMBL8990768 0.88 GHSR (0.43) GHSRTACR1AGTR1FPR2FPR1
SCHEMBL8991024 0.85 GHSR (0.51) GHSRTACR1AGTR1MCHR1OPRM1
SCHEMBL8990829 0.85 GHSR (0.52) GHSRTACR1AGTR1OPRM1FNTA
SCHEMBL8990994 0.84 GHSR (0.42) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991111 0.84 GHSR (0.57) GHSRTACR1AGTR1MCHR1OPRM1
SCHEMBL8991034 0.84 GHSR (0.60) GHSRTACR1MCHR1OPRM1FNTA
SCHEMBL8990743 0.84 GHSR (0.58) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990960 0.83 GHSR (0.47) GHSRTACR1AGTR1OPRM1OPRD1

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