SCHEMBL4697198

SCHEMBL4697198

COC(=O)OC1CCN(c2ncccc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
MALT1 Q9UDY8 10/20 0.48
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL4697505 0.86 MALT1 (0.48) HRH3MALT1KMT2AKDM4ERECQL
SCHEMBL22598170 0.83 GRIN2D (0.48) HRH3MALT1KMT2A
SCHEMBL4533155 0.82 MALT1 (0.54) MALT1KMT2AKDM4ERECQL
SCHEMBL4696957 0.81 ALDH1A1 (0.59) HRH3
SCHEMBL14377345 0.80 MALT1 (0.49) MALT1KMT2A
SCHEMBL14334510 0.77 MALT1 (0.60) MALT1KMT2AKDM4ERECQL
SCHEMBL3202936 0.76 GRIN2D (0.45) HRH3MALT1KMT2AKDM4ERECQL
SCHEMBL22587546 0.76 PIK3CA (0.46) HRH3MALT1KMT2AKDM4ERECQL
SCHEMBL29445480 0.76 PIK3CA (0.46) HRH3MALT1KMT2AKDM4ERECQL
SCHEMBL10278269 0.76 GRIN2D (0.42) HRH3MALT1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603895-B1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-20 EP disclosed
EP-1603895-A1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP disclosed
WO-2004078743-A1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-16 WO disclosed