SCHEMBL8264385

SCHEMBL8264385

N=C(c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
S1PR4 O95977 1/20 0.46
S1PR3 Q99500 1/20 0.46
CNR1 P21554 2/20 0.44
EP300 Q09472 2/20 0.44
F10 P00742 4/20 0.44
F7 P08709 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PRSS1 P07477 1/20 0.41
CASR P41180 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL8264405 0.98 ALDH1A1 (0.47) ALDH1A1S1PR4S1PR3CNR1EP300
SCHEMBL8264020 0.88 F10 (0.43) ALDH1A1S1PR4S1PR3EP300F10
SCHEMBL8265537 0.88 ALDH1A1 (0.46) ALDH1A1S1PR4S1PR3CNR1EP300
SCHEMBL8264515 0.86 F10 (0.45) F10F7MAPT
SCHEMBL8264058 0.86 MAPT (0.45) ALDH1A1CNR1F10SMN1; SMN2MAPT
SCHEMBL13439351 0.84 F10 (0.44) ALDH1A1CNR1F10SMN1; SMN2MAPT
SCHEMBL8265403 0.84 F10 (0.42) ALDH1A1CNR1EP300F10SMN1; SMN2
SCHEMBL8262956 0.84 MAPT (0.43) ALDH1A1CNR1F10SMN1; SMN2HTT
SCHEMBL8264054 0.84 F10 (0.42) ALDH1A1CNR1F10SMN1; SMN2FPR2
SCHEMBL8264410 0.83 F10 (0.42) ALDH1A1CNR1F10SMN1; SMN2FPR2

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