SCHEMBL9107838

SCHEMBL9107838

CC(C)(CC(=O)N[C@@H]1CCc2cc(C(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3NC(=O)N3CCOCC3)cc2)C1=O)NCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FPR1 P21462 5/20 0.36
FPR2 P25090 5/20 0.36
XIAP P98170 4/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
SRPK1 Q96SB4 1/20 0.34

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
SCHEMBL9104558 0.92 GHSR (0.48) GHSRAGTR1XIAPTSHRMAPK1
SCHEMBL9105848 0.90 GHSR (0.46) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL9105554 0.89 GHSR (0.48) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL7785187 0.88 GHSR (0.53) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL9120693 0.86 GHSR (0.46) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL9120688 0.86 GHSR (0.46) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL9108986 0.84 GHSR (0.46) GHSRAGTR1NPSR1XIAP
SCHEMBL9108993 0.84 GHSR (0.46) GHSRAGTR1NPSR1XIAP
SCHEMBL9105727 0.84 GHSR (0.51) GHSRAGTR1FPR1FPR2XIAP
SCHEMBL9107203 0.84 GHSR (0.58) GHSRAGTR1FPR1FPR2XIAP

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