SCHEMBL8265161

SCHEMBL8265161

C#CCN(C)C(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.41
UTS2R Q9UKP6 3/20 0.39
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
ULK1 O75385 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
F10 P00742 2/20 0.36
CNR1 P21554 1/20 0.36
CASR P41180 1/20 0.36
PKM P14618 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MEN1 O00255 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
SCHEMBL8262948 0.90 F10 (0.43) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8265206 0.90 F7 (0.43) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL13439295 0.89 F10 (0.46) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL13439296 0.87 F7 (0.41) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8264045 0.83 F7 (0.45) F7MAPTS1PR4S1PR3ULK1
SCHEMBL8262945 0.79 MAPT (0.47) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8264515 0.78 F10 (0.45) F7MAPTF10
SCHEMBL8264020 0.78 F10 (0.43) F7MAPTS1PR4S1PR3ALDH1A1
SCHEMBL8263562 0.76 F7 (0.48) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL13439293 0.76 F7 (0.43) F7UTS2RMAPTS1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed