SCHEMBL9102903

SCHEMBL9102903

CC(C)(CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O)NCc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
XIAP P98170 1/20 0.38
AGTR1 P30556 1/20 0.38
F7 P08709 4/20 0.36
F3 P13726 4/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9106381 0.94 GHSR (0.55) GHSRXIAPAGTR1F7F3
SCHEMBL9105564 0.94 GHSR (0.54) GHSRXIAPAGTR1F7F3
SCHEMBL9106352 0.93 GHSR (0.51) GHSRXIAPAGTR1F7F3
SCHEMBL9104172 0.92 GHSR (0.50) GHSRXIAPAGTR1F7F3
SCHEMBL9106874 0.92 GHSR (0.49) GHSRXIAPAGTR1F7F3
SCHEMBL9101352 0.92 GHSR (0.49) GHSRXIAPAGTR1MAPTPOLB
SCHEMBL9104983 0.92 GHSR (0.47) GHSRXIAPAGTR1F7F3
SCHEMBL9107930 0.91 GHSR (0.44) GHSRXIAPAGTR1F7F3
SCHEMBL7785962 0.89 GHSR (0.57) GHSRXIAPAGTR1F7F3
SCHEMBL9108721 0.89 GHSR (0.70) GHSRXIAPAGTR1

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
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed