SCHEMBL8991136

SCHEMBL8991136

COC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.46
AGTR1 P30556 1/20 0.46
TACR1 P25103 1/20 0.41
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
NAMPT P43490 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TSHR P16473 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL8990960 0.92 GHSR (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991005 0.91 GHSR (0.55) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990729 0.91 GHSR (0.57) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991111 0.90 GHSR (0.57) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990743 0.89 GHSR (0.58) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990946 0.88 GHSR (0.40) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990755 0.87 GHSR (0.40) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990858 0.86 GHSR (0.43) GHSRAGTR1TSHRMCHR1
SCHEMBL8990824 0.85 GHSR (0.49) GHSRAGTR1TACR1MCHR1
SCHEMBL8990799 0.84 GHSR (0.50) GHSRAGTR1TACR1MCHR1

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