SCHEMBL13632170

SCHEMBL13632170

CCN(CC)C(=O)C1CCCN(c2ccc(N3CC(NC(=O)c4ccc(Cl)s4)CC3=O)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.46
F2 P00734 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13632171 0.93 GAA (0.41) F10GAAALDH1A1MAPTMAPK1
SCHEMBL4505024 0.84 F10 (0.54) F10F2LMNA
SCHEMBL4492540 0.80 F10 (0.62) F10F2LMNA
SCHEMBL4506998 0.80 F10 (0.53) F10F2LMNA
SCHEMBL4496530 0.80 F10 (0.56) F10LMNA
SCHEMBL4515665 0.79 F10 (0.43) F10F2LMNA
SCHEMBL4506177 0.77 F10 (0.54) F10F2LMNA
SCHEMBL13632167 0.76 F10 (0.47) F10MAPTLMNA
SCHEMBL4492429 0.76 LMNA (0.50) F10ALDH1A1LMNA
SCHEMBL4504908 0.76 F10 (0.53) F10LMNA

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-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed