SCHEMBL9102792

SCHEMBL9102792

COc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2CNC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
ALOX15 P16050 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9103038 0.93 GHSR (0.48) GHSRAGTR1TP53MAPTALDH1A1
SCHEMBL9103333 0.93 GHSR (0.49) GHSRAGTR1TP53MAPTALDH1A1
SCHEMBL9101352 0.92 GHSR (0.49) GHSRAGTR1TP53MAPTALDH1A1
SCHEMBL9105937 0.92 GHSR (0.43) GHSRAGTR1TP53MAPTPOLB
SCHEMBL9104983 0.91 GHSR (0.47) GHSRAGTR1TP53MAPTPOLB
SCHEMBL9107761 0.91 GHSR (0.42) GHSRAGTR1MAPTALDH1A1POLB
SCHEMBL9108780 0.90 GHSR (0.42) GHSRAGTR1TP53MAPTALDH1A1
SCHEMBL7791796 0.89 GHSR (0.47) GHSRAGTR1XIAPF7F3
SCHEMBL9108345 0.89 GHSR (0.51) GHSRAGTR1TP53MAPTALDH1A1
SCHEMBL7796068 0.89 GHSR (0.43) GHSRAGTR1XIAPF7F3

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