SCHEMBL2807955

SCHEMBL2807955

COc1ccc(Oc2ccc(CNC(=O)[C@@]3(NC(=O)Oc4cncnc4)CCOC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
BDKRB1 P46663 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTPN7 P35236 2/20 0.34
DUSP3 P51452 2/20 0.34
EPHX2 P34913 4/20 0.33
RAF1 P04049 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL2787450 1.00 L3MBTL1 (0.36) L3MBTL1BDKRB1POLBMAPTP2RX7
SCHEMBL2814098 0.95 L3MBTL1 (0.35) L3MBTL1BDKRB1POLBMAPTP2RX7
SCHEMBL13165642 0.92 BDKRB1 (0.44) L3MBTL1BDKRB1POLBMAPTP2RX7
SCHEMBL13165676 0.92 BDKRB1 (0.44) L3MBTL1BDKRB1POLBMAPTP2RX7
SCHEMBL2788425 0.89 EPHX2 (0.41) L3MBTL1BDKRB1POLBP2RX7ALDH1A1
SCHEMBL2812521 0.88 BDKRB1 (0.38) L3MBTL1BDKRB1POLBP2RX7ALDH1A1
SCHEMBL2788200 0.88 BDKRB1 (0.38) L3MBTL1BDKRB1POLBP2RX7ALDH1A1
SCHEMBL2787448 0.88 L3MBTL1 (0.36) L3MBTL1BDKRB1POLBP2RX7ALDH1A1
SCHEMBL13165736 0.87 BDKRB1 (0.43) L3MBTL1BDKRB1POLBMAPTP2RX7
SCHEMBL2808220 0.87 P2RX7 (0.40) L3MBTL1BDKRB1POLBP2RX7ALDH1A1

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 1 patent. 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