SCHEMBL8265403

SCHEMBL8265403

N=C(c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2F)cc1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRB2 P07550 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 3/20 0.38
KCNH2 Q12809 1/20 0.37
EPHX2 P34913 1/20 0.37
EP300 Q09472 1/20 0.36
CCKBR P32239 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
SCHEMBL8264410 0.99 F10 (0.42) F10MAPTHPGDKDM4ENPC1
SCHEMBL8262947 0.91 F10 (0.44) F10MAPTNPC1RAB9A
SCHEMBL8264412 0.90 FPR2 (0.46) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL8264058 0.90 MAPT (0.45) F10MAPTHPGDNPC1RAB9A
SCHEMBL8263570 0.90 FPR2 (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8264054 0.89 F10 (0.42) F10MAPTHPGDKDM4ENPC1
SCHEMBL8262956 0.89 MAPT (0.43) F10MAPTHPGDKDM4ENPC1
SCHEMBL13439351 0.89 F10 (0.44) F10MAPTHPGDKDM4ENPC1
SCHEMBL13439350 0.88 MAPT (0.51) F10MAPTHPGDKDM4ENPC1
SCHEMBL8264405 0.86 ALDH1A1 (0.47) F10MAPTKDM4ENPC1RAB9A

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