SCHEMBL3086840

SCHEMBL3086840

COc1ccc(-n2nc3c(c2-c2ccc(C)cc2)CCCC3C(=O)N[C@@H]2C3CCC(C3)[C@@H]2CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FAAH O00519 2/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CFTR P13569 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CCKAR P32238 2/20 0.34
F10 P00742 2/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13145271 1.00 CNR1 (0.38) CNR1CNR2FAAHKMT2AALDH1A1
SCHEMBL3088156 0.90 CNR1 (0.37) CNR1CNR2FAAHKMT2AALDH1A1
SCHEMBL3085780 0.90 CNR1 (0.37) CNR1CNR2FAAHKMT2AALDH1A1
SCHEMBL3090627 0.89 FAAH (0.37) CNR1CNR2FAAHALDH1A1F10
SCHEMBL3088729 0.89 FAAH (0.37) CNR1CNR2FAAHALDH1A1F10
SCHEMBL4928211 0.81 CNR1 (0.41) CNR1CNR2CFTRCCKARMAPT
SCHEMBL3094082 0.78 CNR2 (0.43) CNR1CNR2F10
SCHEMBL13180103 0.77 CCKAR (0.36) CNR1CNR2ALDH1A1CCKAR
SCHEMBL3085850 0.75 ALDH1A1 (0.35) CNR1CNR2ALDH1A1CCKARF10
SCHEMBL14435695 0.74 CCKAR (0.33) CNR1CNR2ALDH1A1CCKARF10

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
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US claimed