SCHEMBL4728434

SCHEMBL4728434

CC1(C)Oc2cc(I)ccc2-c2c1c(C(=O)O)nn2-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 13/20 0.34
▸ CNR1 P21554 10/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL4729374 0.91 CNR2 (0.36) CNR2CNR1
SCHEMBL4728429 0.91 MARS1 (0.35) CNR2CNR1
SCHEMBL4728284 0.89 CNR2 (0.38) CNR2CNR1
SCHEMBL4729482 0.87 SMN1; SMN2 (0.41) L3MBTL1CNR2CNR1
Hydrochloric Acid SCHEMBL4783070 0.84 CNR1 (0.52) CNR2CNR1
SCHEMBL4730638 0.83 MARS1 (0.43) CNR2CNR1
SCHEMBL4730288 0.83 CNR2 (0.42) CNR2CNR1
SCHEMBL4783366 0.81 RIPK1 (0.35) L3MBTL1CNR2CNR1
SCHEMBL4784498 0.79 MARS1 (0.49) CNR2CNR1
Hydrochloric Acid SCHEMBL4782422 0.78 L3MBTL1 (0.39) L3MBTL1CNR2CNR1

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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