SCHEMBL5008799

SCHEMBL5008799

NC(=NSc1ccc(Cl)cc1)C1CN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)=N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.35
CNR2 P34972 10/20 0.35
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP3A4 P08684 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL13928740 0.80 F2 (0.40) CNR1CNR2
SCHEMBL4215594 0.80 F2 (0.40) CNR1CNR2
SCHEMBL4359770 0.79 CNR1 (0.36) CNR1CNR2CYP3A4DPP4DPP8
SCHEMBL13928742 0.79 CNR1 (0.36) CNR1CNR2CYP3A4DPP4DPP8
SCHEMBL6335025 0.78 CNR1 (0.41) CNR1CNR2
SCHEMBL5008797 0.77 CNR1 (0.35) CNR1CNR2
SCHEMBL4220252 0.77 CNR1 (0.40) CNR1CNR2
Lithium Ion SCHEMBL4220249 0.77 CNR1 (0.40) CNR1CNR2
SCHEMBL4215991 0.76 CNR1 (0.41) CNR1CNR2CYP3A4DPP4DPP8
SCHEMBL13928738 0.76 CNR1 (0.41) CNR1CNR2CYP3A4DPP4DPP8

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
EP-1725536-B1 IMIDAZOLINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-10-15 EP claimed