SCHEMBL5267348

SCHEMBL5267348

CN(C)CC1CCC(=O)N1c1ccc(N2CC(NC(=O)Oc3ccc(Br)s3)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL4511736 0.86 LMNA (0.45) POLBLMNATP53ALDH1A1ENPP2
SCHEMBL2765742 0.77 TP53 (0.41) POLBLMNATP53SMN1; SMN2ALDH1A1
SCHEMBL5264221 0.75 TP53 (0.41) POLBLMNAMAPTTP53SMN1; SMN2
SCHEMBL5266162 0.75 F10 (0.42) POLBLMNAMAPTTP53ENPP2
SCHEMBL2765417 0.74 LMNA (0.42) POLBLMNAMAPTTP53ALDH1A1
SCHEMBL2767789 0.74 POLB (0.43) POLBLMNATP53
SCHEMBL5269486 0.73 TP53 (0.40) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2765785 0.73 LMNA (0.41) POLBLMNAMAPTTP53
SCHEMBL2766927 0.73 LMNA (0.40) POLBLMNAMAPTTP53
SCHEMBL2767413 0.72 TP53 (0.41) POLBLMNAMAPTTP53

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