SCHEMBL9106874

SCHEMBL9106874

CSc1ccc2c(c1)SC[C@@H](NC(=O)CC(C)(C)NCc1ccco1)C(=O)N2Cc1ccc(-c2ccccc2CNC(=O)NCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
AGTR1 P30556 1/20 0.34
XIAP P98170 1/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
F7 P08709 2/20 0.30
F3 P13726 2/20 0.30
F2 P00734 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
SCHEMBL9103746 0.95 GHSR (0.49) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9102835 0.94 GHSR (0.48) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9108780 0.92 GHSR (0.42) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9106352 0.92 GHSR (0.51) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9102903 0.92 GHSR (0.55) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9104172 0.91 GHSR (0.50) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL9101352 0.91 GHSR (0.49) GHSRAGTR1XIAPMAPTPOLB
SCHEMBL8331542 0.90 GHSR (0.51) GHSRAGTR1XIAPKMT2AF7
SCHEMBL9104298 0.90 GHSR (0.59) GHSRAGTR1XIAP
SCHEMBL8331169 0.89 GHSR (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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