SCHEMBL8990751

SCHEMBL8990751

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8990759 0.95 GHSR (0.48) GHSRAGTR1
SCHEMBL8990855 0.94 GHSR (0.48) GHSRAGTR1MEN1KMT2A
SCHEMBL8990923 0.94 GHSR (0.47) GHSRAGTR1
SCHEMBL8990957 0.93 GHSR (0.43) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL8990997 0.92 GHSR (0.40) GHSRAGTR1
SCHEMBL8990750 0.91 GHSR (0.39) GHSRAGTR1MEN1KMT2A
SCHEMBL8991001 0.91 GHSR (0.42) GHSR
SCHEMBL8991009 0.91 GHSR (0.42) GHSROPRM1OPRD1OPRK1OPRL1
SCHEMBL8990933 0.89 GHSR (0.49) GHSRAGTR1
SCHEMBL8990948 0.88 GHSR (0.47) GHSRAGTR1

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