SCHEMBL8990843

SCHEMBL8990843

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(SC)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 2/20 0.30
TACR1 P25103 1/20 0.30
OPRD1 P41143 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
SCHEMBL8991035 0.91 MME (0.36) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990911 0.91 SMN1; SMN2 (0.35) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8991080 0.90 FPR2 (0.35) GHSRAGTR1
SCHEMBL8991082 0.88 GHSR (0.41) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990749 0.88 GHSR (0.31) GHSR
SCHEMBL8990806 0.86 GHSR (0.43) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990906 0.86 GHSR (0.44) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8991127 0.85 MME (0.36) GHSRAGTR1OPRM1TACR1OPRD1
SCHEMBL8990883 0.85 SMN1; SMN2 (0.35) GHSRAGTR1OPRM1TACR1
SCHEMBL8991115 0.85 AGTR1 (0.36) 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