SCHEMBL8990821

SCHEMBL8990821

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.54
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.35
PLA2G2A P14555 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
MLNR O43193 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
F10 P00742 1/20 0.32
XIAP P98170 1/20 0.32

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
SCHEMBL8990822 0.94 GHSR (0.55) GHSRKCNA5KCNH2MCHR1PLA2G2A
SCHEMBL8990929 0.93 GHSR (0.55) GHSRKCNA5KCNH2MCHR1PLA2G2A
SCHEMBL8990924 0.93 GHSR (0.45) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990935 0.90 GHSR (0.55) GHSRKCNA5KCNH2MCHR1MLNR
SCHEMBL8990951 0.90 GHSR (0.61) GHSRMCHR1MEN1KMT2AXIAP
SCHEMBL8990807 0.89 GHSR (0.54) GHSRMCHR1KMT2A
SCHEMBL8990704 0.86 GHSR (0.58) GHSRKCNA5KCNH2MCHR1PLA2G2A
SCHEMBL8990877 0.86 GHSR (0.42) GHSRKCNA5KCNH2MCHR1PLA2G2A
SCHEMBL8991065 0.85 GHSR (0.39) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990863 0.84 GHSR (0.40) GHSRMEN1KMT2A

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