SCHEMBL8990930

SCHEMBL8990930

CNC(=O)NC(C)c1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 2/20 0.36
TACR1 P25103 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
AGTR1 P30556 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
SCHEMBL8991069 0.86 GHSR (0.44) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL8991003 0.85 GHSR (0.51) GHSRMMEACEOPRM1OPRD1
SCHEMBL8990816 0.84 GHSR (0.68) GHSRMMEACEPTGER1PTGER3
SCHEMBL8990879 0.82 GHSR (0.52) GHSRMMEACEOPRM1OPRD1
SCHEMBL8990746 0.79 GHSR (0.50) GHSRMMEACEOPRM1OPRD1
SCHEMBL8990748 0.79 GHSR (0.50) GHSRMMEACEOPRM1OPRD1
SCHEMBL8991054 0.79 GHSR (0.56) GHSRMMEACEOPRM1OPRD1
SCHEMBL8991128 0.78 GHSR (0.68) GHSRMMEACEPTGER1PTGER3
SCHEMBL8990939 0.78 GHSR (0.68) GHSRMMEACEPTGER1PTGER3
SCHEMBL8990913 0.78 GHSR (0.45) GHSROPRM1TACR1AGTR1

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