SCHEMBL5801137

SCHEMBL5801137

NC(=O)C(NC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.50
NPC1 O15118 3/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
EPHX1 P07099 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
EPHX2 P34913 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
HTT P42858 1/20 0.44
PDE3A Q14432 1/20 0.44
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 1/20 0.43
CASR P41180 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL3563025 0.87 CNR1 (0.55) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL5803978 0.86 CNR1 (0.48) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL5801215 0.83 CNR1 (0.60) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL8264453 0.75 F10 (0.46) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL3564247 0.74 CNR1 (0.52) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL3557437 0.74 CNR1 (0.52) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL3563416 0.74 FPR2 (0.57) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL3569304 0.74 CNR1 (0.52) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL3560100 0.74 PCTP (0.45) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL5632770 0.74 FPR2 (0.73) CNR1NPC1MEN1KMT2ALMNA

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-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed