SCHEMBL9802125

SCHEMBL9802125

O=C(CN1C(=O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](c2ccccc2)Cc2ccccc21)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.42
CCKAR P32238 1/20 0.42
NAMPT P43490 4/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
XIAP P98170 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY1R P25929 1/20 0.37

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
SCHEMBL9802338 1.00 CCKBR (0.42) CCKBRCCKARNAMPTMAPTTP53
SCHEMBL9802345 1.00 CCKBR (0.42) CCKBRCCKARNAMPTMAPTTP53
SCHEMBL9802133 1.00 CCKBR (0.42) CCKBRCCKARNAMPTMAPTTP53
SCHEMBL9802246 0.90 PYGL (0.41) CCKBRNAMPTNPY1R
SCHEMBL9802851 0.90 PYGL (0.41) CCKBRNAMPTNPY1R
SCHEMBL9802229 0.90 PYGL (0.41) CCKBRNAMPTNPY1R
SCHEMBL9802866 0.90 PYGL (0.41) CCKBRNAMPTNPY1R
SCHEMBL9802184 0.89 PYGL (0.41) CCKBRNAMPTMEN1KMT2A
SCHEMBL9802276 0.89 PYGL (0.41) CCKBRNAMPTMEN1KMT2A
SCHEMBL9802171 0.89 PYGL (0.41) CCKBRNAMPTMEN1KMT2A

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-5055464-A Cognition activators, diuretics, antiulcer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1991-10-08 US disclosed
EP-0322779-A2 Benzolactam compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-07-05 EP disclosed