SCHEMBL9802776

SCHEMBL9802776

NC(=O)CN1C(=O)[C@@H](N)[C@@H](c2ccccc2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CYP2C19 P33261 1/20 0.44
PYGL P06737 1/20 0.43
AADAT Q8N5Z0 2/20 0.42
GOT1 P17174 1/20 0.42
KYAT1 Q16773 1/20 0.42
KYAT3 Q6YP21 1/20 0.42
CACNA1S Q13698 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 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
SCHEMBL9802149 1.00 SIGMAR1 (0.47) SIGMAR1CYP2C19PYGLAADATGOT1
SCHEMBL9802141 1.00 SIGMAR1 (0.47) SIGMAR1CYP2C19PYGLAADATGOT1
SCHEMBL9802216 1.00 SIGMAR1 (0.47) SIGMAR1CYP2C19PYGLAADATGOT1
SCHEMBL9802815 1.00 SIGMAR1 (0.47) SIGMAR1CYP2C19PYGLAADATGOT1
SCHEMBL9802473 0.84 GAA (0.48) CYP2C19ALDH1A1
SCHEMBL9802457 0.84 GAA (0.48) CYP2C19ALDH1A1
SCHEMBL9802812 0.84 GAA (0.48) CYP2C19ALDH1A1
SCHEMBL9802817 0.84 GAA (0.48) CYP2C19ALDH1A1
SCHEMBL9802290 0.75 PYGL (0.41) SIGMAR1PYGL
SCHEMBL9802171 0.75 PYGL (0.41) SIGMAR1PYGL

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