SCHEMBL14435695

SCHEMBL14435695

COc1ccc(-n2nc3c(c2-c2ccc(C)cc2)CCCC3C(=O)NC(C)C2(C)CCC3CC(CC3C)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 8/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
F10 P00742 2/20 0.31

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
SCHEMBL13180103 0.89 CCKAR (0.36) CCKARALDH1A1CNR1CNR2
SCHEMBL3085850 0.88 ALDH1A1 (0.35) CCKARALDH1A1CNR1CNR2F10
SCHEMBL4928211 0.75 CNR1 (0.41) CCKARCNR1CNR2
SCHEMBL3094082 0.75 CNR2 (0.43) CNR1CNR2F10
SCHEMBL13145271 0.74 CNR1 (0.38) CCKARALDH1A1CNR1CNR2F10
SCHEMBL3086840 0.74 CNR1 (0.38) CCKARALDH1A1CNR1CNR2F10
SCHEMBL3088156 0.73 CNR1 (0.37) CCKARALDH1A1CNR1CNR2
SCHEMBL3085780 0.73 CNR1 (0.37) CCKARALDH1A1CNR1CNR2
SCHEMBL3090627 0.71 FAAH (0.37) ALDH1A1CNR1CNR2F10
SCHEMBL3088729 0.71 FAAH (0.37) ALDH1A1CNR1CNR2F10

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-2007095513-A1 TETRAHYDR0-2H-INDAZ0LE DERIVATIVES FOR USE AS CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2007-08-23 WO disclosed