SCHEMBL8990764

SCHEMBL8990764

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
TACR1 P25103 2/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AGTR2 P50052 6/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
AGTR1 P30556 2/20 0.31
THRB P10828 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL9107587 0.94 GHSR (0.59) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990927 0.94 GHSR (0.58) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8991051 0.92 GHSR (0.49) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8991128 0.90 GHSR (0.68) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8991044 0.90 GHSR (0.60) GHSRTACR1OPRM1OPRD1MCHR1
SCHEMBL8990744 0.88 GHSR (0.43) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990737 0.88 GHSR (0.43) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990944 0.86 GHSR (0.51) GHSRTACR1OPRM1OPRD1AGTR1
SCHEMBL8990713 0.86 GHSR (0.44) GHSRTACR1AGTR2OPRM1OPRD1
SCHEMBL8990806 0.85 GHSR (0.43) GHSRTACR1AGTR2OPRM1OPRD1

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