SCHEMBL9104587

SCHEMBL9104587

CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NCc3ccco3)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
AGTR1 P30556 1/20 0.42
XIAP P98170 6/20 0.40
NPY1R P25929 1/20 0.37
MTNR1A P48039 1/20 0.36
CCKBR P32239 4/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9104909 0.95 GHSR (0.59) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9105585 0.95 GHSR (0.58) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9108345 0.93 GHSR (0.51) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9108181 0.92 GHSR (0.60) GHSRAGTR1XIAPNPY1R
SCHEMBL9107593 0.92 GHSR (0.70) GHSRAGTR1XIAPNPY1R
SCHEMBL9108609 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9106020 0.91 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9108446 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9108452 0.91 GHSR (0.46) GHSRAGTR1XIAPNPY1RMTNR1A
SCHEMBL9103333 0.89 GHSR (0.49) GHSRAGTR1XIAPMEN1POLB

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 1 patent. 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