SCHEMBL4728284

SCHEMBL4728284

CC1(C)Oc2cc(I)ccc2-c2c1c(C(=O)O)nn2-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.38
▸ RIPK1 Q13546 6/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIK3R5 Q8WYR1 1/20 0.34
▸ PIK3R3 Q92569 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ HASPIN Q8TF76 1/20 0.32
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 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
SCHEMBL4728434 0.89 L3MBTL1 (0.39) CNR2CNR1
SCHEMBL4729374 0.88 CNR2 (0.36) CNR2NPSR1ALDH1A1CNR1
SCHEMBL4783366 0.88 RIPK1 (0.35) CNR2RIPK1ALDH1A1PIK3CDPIK3R2
SCHEMBL4728429 0.84 MARS1 (0.35) CNR2RIPK1NPSR1CNR1
Hydrochloric Acid SCHEMBL4781977 0.83 CNR1 (0.43) CNR2NPSR1CNR1
SCHEMBL4730288 0.82 CNR2 (0.42) CNR2NPSR1ALDH1A1CNR1
SCHEMBL4729482 0.77 SMN1; SMN2 (0.41) CNR2NPSR1ALDH1A1CNR1
SCHEMBL4730638 0.77 MARS1 (0.43) CNR2ALDH1A1CNR1
SCHEMBL4731233 0.76 LMNA (0.44) CNR2ALDH1A1CNR1
SCHEMBL4782013 0.76 PDE4B (0.45) NPSR1ALDH1A1CNR1

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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