SCHEMBL7008283

SCHEMBL7008283

COc1ccc(C(=O)Nc2ccc3c(c2)C2CCCN2CC3C)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRAF P15056 6/20 0.45
RAF1 P04049 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL7011226 0.85 MAPT (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7013060 0.85 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7012602 0.85 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
Hydrochloric Acid SCHEMBL7014137 0.84 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7007201 0.82 MAPT (0.44) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7012290 0.81 MAPT (0.51) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7008281 0.79 BRAF (0.48) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7660377 0.75 MAPT (0.52) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7649851 0.75 MAPT (0.49) MAPTTP53THRBSMN1; SMN2BRAF
SCHEMBL7801373 0.74 ROCK2 (0.55) MAPTTP53THRBSMN1; SMN2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO claimed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed