SCHEMBL8990768

SCHEMBL8990768

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(C(F)(F)F)cc3C[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 4/20 0.43
TACR1 P25103 3/20 0.39
FPR1 P21462 3/20 0.31
FPR2 P25090 3/20 0.31
APOB P04114 1/20 0.31
MTTP P55157 1/20 0.31
DPP4 P27487 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
RORC P51449 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
SCHEMBL8991095 0.92 TACR1 (0.41) GHSRTACR1FPR1FPR2APOB
SCHEMBL8991025 0.92 GHSR (0.48) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8990712 0.90 GHSR (0.43) GHSRTACR1
SCHEMBL8991042 0.88 GHSR (0.49) GHSRTACR1FPR1FPR2APOB
SCHEMBL8990862 0.87 GHSR (0.45) GHSRTACR1AGTR1OPRM1
SCHEMBL8991037 0.87 GHSR (0.44) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991016 0.87 GHSR (0.44) GHSRTACR1AGTR1OPRM1
SCHEMBL8990774 0.86 GHSR (0.49) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991059 0.86 GHSR (0.50) GHSRTACR1AGTR1OPRM1OPRD1
SCHEMBL8991017 0.86 GHSR (0.49) 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