SCHEMBL4730638

SCHEMBL4730638

CC1(C)Oc2cc(F)ccc2-c2c1c(C(=O)O)nn2-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 2/20 0.43
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 7/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4731233 0.93 LMNA (0.44) MARS1CNR1CNR2LMNAALDH1A1
SCHEMBL4784498 0.93 MARS1 (0.49) MARS1CNR1CNR2
SCHEMBL4728429 0.90 MARS1 (0.35) MARS1CNR1CNR2LMNA
SCHEMBL4730288 0.90 CNR2 (0.42) MARS1CNR1CNR2LMNAALDH1A1
SCHEMBL4730418 0.87 CNR2 (0.43) MARS1CNR1CNR2LMNA
SCHEMBL4728972 0.87 MARS1 (0.48) MARS1CNR1CNR2
SCHEMBL4729440 0.87 CNR1 (0.43) MARS1CNR1CNR2LMNA
SCHEMBL4729313 0.87 CNR1 (0.44) MARS1CNR1CNR2
SCHEMBL4729374 0.86 CNR2 (0.36) MARS1CNR1CNR2LMNAALDH1A1
SCHEMBL4730544 0.86 CNR2 (0.42) MARS1CNR1CNR2LMNA

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-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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