SCHEMBL5049371

SCHEMBL5049371

Cc1ccc(-c2nn(C34CC5CC(CC(C5)C3)C4)nc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
DPP4 P27487 2/20 0.40
CNR2 P34972 3/20 0.38
HSD11B1 P28845 2/20 0.38
CRHR1 P34998 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
SCHEMBL5049373 0.79 CNR1 (0.44) CNR1DPP4CNR2HSD11B1
SCHEMBL5051902 0.76 TSHR (0.54) HSD11B1
SCHEMBL13307799 0.71 CNR1 (0.89) CNR1CNR2
SCHEMBL5051915 0.70 CNR1 (0.55) CNR1DPP4HSD11B1CRHR1
SCHEMBL3611261 0.68 CNR1 (0.50) CNR1DPP4CNR2CRHR1
SCHEMBL1045006 0.67 AHR (0.57) DPP4HSD11B1
SCHEMBL3599456 0.67 SIGMAR1 (0.44) CNR1CNR2
SCHEMBL13307817 0.66 CNR1 (1.00) CNR1CNR2
SCHEMBL8031277 0.60 HSD11B1 (0.47) HSD11B1CRHR1
SCHEMBL11487466 0.59 NPC1 (0.73)

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
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed