SCHEMBL8991035

SCHEMBL8991035

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
GHSR Q92847 2/20 0.36
AGTR1 P30556 1/20 0.36
TACR1 P25103 2/20 0.35
OPRM1 P35372 4/20 0.35
OPRD1 P41143 2/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL8991127 0.94 MME (0.36) MMEACEGHSRAGTR1TACR1
SCHEMBL8990911 0.93 SMN1; SMN2 (0.35) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991080 0.91 FPR2 (0.35) GHSRAGTR1
SCHEMBL8990843 0.91 GHSR (0.32) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991025 0.89 GHSR (0.48) MMEACEGHSRAGTR1TACR1
SCHEMBL8990993 0.88 ADRB2 (0.35) MMEACEGHSRAGTR1TACR1
SCHEMBL8990851 0.88 TACR1 (0.38) MMEACEGHSRAGTR1TACR1
SCHEMBL8990833 0.87 GHSR (0.35) GHSRAGTR1
SCHEMBL8990916 0.86 GHSR (0.39) MMEACEGHSRAGTR1TACR1
SCHEMBL8990897 0.86 GHSR (0.47) MMEACEGHSRAGTR1TACR1

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 3 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed