SCHEMBL9103073

SCHEMBL9103073

CSc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.40
AGTR1 P30556 2/20 0.40
XIAP P98170 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL9107656 0.92 GHSR (0.41) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9107917 0.92 GHSR (0.45) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9107707 0.91 GHSR (0.41) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9104201 0.90 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL9108780 0.85 GHSR (0.42) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9102835 0.85 GHSR (0.48) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9103746 0.84 GHSR (0.49) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9105693 0.84 GHSR (0.44) GHSRAGTR1XIAP
SCHEMBL9106874 0.84 GHSR (0.49) GHSRAGTR1XIAPMAPTTP53
SCHEMBL9105861 0.83 GHSR (0.58) 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