SCHEMBL8990729

SCHEMBL8990729

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.57
AGTR1 P30556 1/20 0.46
TACR1 P25103 1/20 0.41
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
FNTA P49354 4/20 0.37
FNTB P49356 4/20 0.37
MCHR1 Q99705 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL8991111 0.93 GHSR (0.57) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990743 0.92 GHSR (0.58) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990960 0.92 GHSR (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990816 0.91 GHSR (0.68) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991042 0.91 GHSR (0.49) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990824 0.91 GHSR (0.49) GHSRAGTR1TACR1MCHR1
SCHEMBL8991136 0.91 GHSR (0.46) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991017 0.88 GHSR (0.49) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990897 0.87 GHSR (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991025 0.87 GHSR (0.48) GHSRAGTR1TACR1OPRM1OPRD1

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