SCHEMBL8990916

SCHEMBL8990916

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3NC(=O)NCCO)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.39
TACR1 P25103 1/20 0.36
OPRM1 P35372 4/20 0.36
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
AGTR1 P30556 1/20 0.35
OPRD1 P41143 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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 0.93 MME (0.36) GHSRTACR1OPRM1MMEACE
SCHEMBL8990953 0.90 GHSR (0.51) GHSRTACR1OPRM1MMEACE
SCHEMBL8990988 0.87 GHSR (0.38) GHSRAGTR1DRD2DRD4DRD3
SCHEMBL8991035 0.86 MME (0.36) GHSRTACR1OPRM1MMEACE
SCHEMBL8990908 0.86 GAA (0.35) GHSRTACR1MMEACEAGTR1
SCHEMBL8991087 0.86 TACR1 (0.39) GHSRTACR1OPRM1MMEACE
SCHEMBL8990883 0.86 SMN1; SMN2 (0.35) GHSRTACR1OPRM1MMEAGTR1
SCHEMBL8991077 0.85 FPR1 (0.36) GHSRAGTR1
SCHEMBL8991017 0.84 GHSR (0.49) GHSRTACR1OPRM1MMEACE
SCHEMBL8990925 0.84 GHSR (0.49) GHSRTACR1OPRM1MMEACE

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