SCHEMBL5266476

SCHEMBL5266476

Cc1cc(N2CC(NC(=O)Oc3ccc(Br)s3)CC2=O)ccc1N1CCOCC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.46
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL5314536 0.93 F10 (0.40) F10POLBLMNANCOA1NCOA3
SCHEMBL5270690 0.93 POLB (0.40) F10POLBLMNANCOA1NCOA3
SCHEMBL5264920 0.93 F10 (0.44) F10POLBLMNACYP1A2CYP3A4
SCHEMBL5266888 0.90 F10 (0.47) F10
SCHEMBL2766694 0.88 F10 (0.47) F10POLBLMNACYP1A2CYP3A4
SCHEMBL5266415 0.87 F10 (0.41) F10POLBLMNACYP1A2CYP3A4
SCHEMBL4506653 0.87 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4492727 0.87 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4491287 0.87 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5266535 0.86 LMNA (0.41) POLBLMNANCOA1NCOA3

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-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO disclosed