SCHEMBL3085780

SCHEMBL3085780

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FAAH O00519 1/20 0.34
CFTR P13569 1/20 0.34
CCKAR P32238 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTK2B Q14289 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
SCHEMBL3088156 1.00 CNR1 (0.37) CNR1CNR2FAAHCFTRCCKAR
SCHEMBL3090627 0.91 FAAH (0.37) CNR1CNR2FAAHMAPTTP53
SCHEMBL3088729 0.91 FAAH (0.37) CNR1CNR2FAAHMAPTTP53
SCHEMBL3086840 0.90 CNR1 (0.38) CNR1CNR2FAAHCFTRCCKAR
SCHEMBL13145271 0.90 CNR1 (0.38) CNR1CNR2FAAHCFTRCCKAR
SCHEMBL4928211 0.84 CNR1 (0.41) CNR1CNR2CFTRCCKARMAPT
SCHEMBL3094082 0.77 CNR2 (0.43) CNR1CNR2
SCHEMBL13180103 0.76 CCKAR (0.36) CNR1CNR2CCKARALDH1A1
SCHEMBL3085850 0.74 ALDH1A1 (0.35) CNR1CNR2CCKARMAPTALDH1A1
SCHEMBL14435695 0.73 CCKAR (0.33) CNR1CNR2CCKARALDH1A1

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 disclosed