SCHEMBL2852201

SCHEMBL2852201

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CC#N)CCOC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.40
PLA2G7 Q13093 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
PTPN7 P35236 2/20 0.35
DUSP3 P51452 2/20 0.35
EPHX2 P34913 3/20 0.35
P2RX7 Q99572 1/20 0.34
DDR2 Q16832 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL765637 0.91 AR (0.43) ARPLA2G7L3MBTL1POLBPTPN7
SCHEMBL13165638 0.90 EPHX2 (0.40) L3MBTL1MAPTKMT2APOLBPTPN7
SCHEMBL3722055 0.90 P2RX7 (0.35) ARPLA2G7KMT2AEPHX2P2RX7
SCHEMBL13165629 0.90 L3MBTL1 (0.39) L3MBTL1MAPTKMT2APOLBPTPN7
SCHEMBL13166048 0.90 L3MBTL1 (0.39) L3MBTL1MAPTKMT2APOLBPTPN7
SCHEMBL13165640 0.88 L3MBTL1 (0.41) PLA2G7L3MBTL1MAPTKMT2APOLB
SCHEMBL13165643 0.88 L3MBTL1 (0.38) L3MBTL1MAPTKMT2APOLBPTPN7
SCHEMBL13166054 0.87 CNR1 (0.37) L3MBTL1MAPTKMT2AEPHX2GAA
SCHEMBL13166051 0.87 OPRL1 (0.38) L3MBTL1MAPTKMT2APOLBPTPN7
SCHEMBL13165631 0.87 L3MBTL1 (0.37) L3MBTL1MAPTKMT2APOLBPTPN7

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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed