SCHEMBL3718921

SCHEMBL3718921

COc1ccc(Oc2ccc(C(C)N)nc2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
LIMK1 P53667 1/20 0.37
AR P10275 3/20 0.37
HTR2A P28223 1/20 0.37
MAPK10 P53779 3/20 0.36
MAPK8 P45983 2/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 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
SCHEMBL3722579 1.00 L3MBTL1 (0.40) L3MBTL1RAB9AMAPTNPSR1P2RX3
SCHEMBL3720573 0.87 LIMK1 (0.33) L3MBTL1RAB9AMAPTNPSR1P2RX3
SCHEMBL3722058 0.87 L3MBTL1 (0.40) L3MBTL1RAB9AMAPTNPSR1P2RX3
SCHEMBL3725866 0.83 P2RX3 (0.40) MAPTNPSR1P2RX3P2RX2HTR2A
SCHEMBL3726016 0.82 L3MBTL1 (0.40) L3MBTL1RAB9AMAPTNPSR1AR
Hydrochloric Acid SCHEMBL3722878 0.82 MEN1 (0.40) MAPTNPSR1P2RX3P2RX2HTR2A
SCHEMBL752517 0.81 L3MBTL1 (0.47) L3MBTL1RAB9AMAPTNPSR1AR
SCHEMBL3730195 0.78 AR (0.48) AR
SCHEMBL3722872 0.78 L3MBTL1 (0.41) L3MBTL1RAB9AMAPTNPSR1AR
SCHEMBL3720878 0.77 CACNA1I (0.43) LIMK1MAPK10MAPK8

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