SCHEMBL7100173

SCHEMBL7100173

CCCCCNc1ccc2c(c1)C(=O)OC2CCCC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.52
MAOA P21397 8/20 0.52
ABCB1 P08183 1/20 0.49
CES2 O00748 1/20 0.45

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
SCHEMBL28052055 0.84 MAOB (0.54) MAOBMAOAABCB1
SCHEMBL6741234 0.82 MAOB (0.52) MAOBMAOAABCB1
SCHEMBL6739287 0.82 MAOB (0.55) MAOBMAOAABCB1
SCHEMBL6742472 0.81 ABCB1 (0.58) MAOBMAOAABCB1
SCHEMBL6737479 0.80 ABCB1 (0.60) MAOBMAOAABCB1
SCHEMBL6741749 0.79 ABCB1 (0.54) MAOBMAOAABCB1CES2
SCHEMBL6737859 0.79 ABCB1 (0.56) MAOBMAOAABCB1
SCHEMBL6739520 0.79 ABCB1 (0.56) MAOBMAOAABCB1
SCHEMBL6737485 0.79 MAOB (0.52) MAOBMAOAABCB1
SCHEMBL6742959 0.79 ABCB1 (0.61) MAOBMAOAABCB1

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
EP-1320528-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2003-06-25 EP disclosed
WO-2002000638-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS INSTITUTE OF MATERIA MEDICA (CN) 2002-01-03 WO disclosed