SCHEMBL4781540

SCHEMBL4781540

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.59
CNR2 P34972 6/20 0.59
CYP19A1 P11511 1/20 0.41
CCR1 P32246 1/20 0.41
EEF2K O00418 1/20 0.39
PTGS2 P35354 2/20 0.39
CCR2 P41597 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PDE5A O76074 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2537283 0.92 CNR1 (0.55) CNR1CNR2CYP19A1PTGS2PDE5A
SCHEMBL2544881 0.91 CNR1 (0.51) CNR1CNR2PDE5AMEN1KMT2A
SCHEMBL2545396 0.90 CNR1 (0.51) CNR1CNR2CCR1CCR2MAPT
SCHEMBL13241586 0.89 CNR1 (0.48) CNR1CNR2CYP19A1PDE5AMEN1
SCHEMBL2536936 0.89 CNR1 (0.50) CNR1CNR2CYP19A1PTGS2PDE5A
SCHEMBL2539861 0.89 CNR1 (0.48) CNR1CNR2CCR1L3MBTL1
SCHEMBL2537482 0.89 CNR1 (0.49) CNR1CNR2PDE5AMEN1KMT2A
SCHEMBL2537487 0.89 CNR1 (0.49) CNR1CNR2PDE5AMEN1KMT2A
SCHEMBL2539927 0.89 CNR1 (0.49) CNR1CNR2PDE5AMEN1KMT2A
SCHEMBL2540544 0.88 CNR1 (0.51) CNR1CNR2CYP19A1PTGS2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed