SCHEMBL3728513

SCHEMBL3728513

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncc(F)c4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.44
EPHX2 P34913 9/20 0.40
P2RX7 Q99572 1/20 0.37
F10 P00742 1/20 0.36
CNR1 P21554 2/20 0.35
HPGDS O60760 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
ABL1 P00519 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
SCHEMBL13191236 0.94 BDKRB1 (0.45) BDKRB1EPHX2P2RX7F10CNR1
SCHEMBL13191723 0.92 BDKRB1 (0.52) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL13191233 0.92 BDKRB1 (0.44) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL13191705 0.92 BDKRB1 (0.44) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL13191721 0.92 BDKRB1 (0.43) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL3722271 0.92 BDKRB1 (0.43) BDKRB1EPHX2P2RX7F10CNR1
SCHEMBL13191582 0.91 BDKRB1 (0.44) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL13191622 0.90 EPHX2 (0.47) BDKRB1EPHX2P2RX7F10
SCHEMBL13191243 0.90 F10 (0.44) BDKRB1EPHX2P2RX7F10HPGDS
SCHEMBL13191624 0.90 EPHX2 (0.40) BDKRB1EPHX2P2RX7F10

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-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed