SCHEMBL9103333

SCHEMBL9103333

CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CSc3cc(OC)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
TP53 P04637 3/20 0.37
AGTR1 P30556 1/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 5/20 0.33
XIAP P98170 1/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9101352 0.95 GHSR (0.49) GHSRTP53AGTR1POLBMEN1
SCHEMBL9103038 0.95 GHSR (0.48) GHSRTP53AGTR1POLBMEN1
SCHEMBL9102792 0.93 GHSR (0.42) GHSRTP53AGTR1POLBMEN1
SCHEMBL9107337 0.92 GHSR (0.50) GHSRTP53AGTR1POLBKMT2A
SCHEMBL9106381 0.92 GHSR (0.55) GHSRTP53AGTR1POLBKMT2A
SCHEMBL9104591 0.91 GHSR (0.49) GHSRTP53AGTR1POLBALDH1A1
SCHEMBL9103746 0.91 GHSR (0.49) GHSRTP53AGTR1POLBKMT2A
SCHEMBL9104587 0.89 GHSR (0.58) GHSRAGTR1POLBMEN1KMT2A
SCHEMBL7795833 0.89 GHSR (0.50) GHSRAGTR1XIAP
SCHEMBL8331161 0.89 GHSR (0.56) GHSRAGTR1XIAP

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
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
WO-1995003290-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed