SCHEMBL4730288

SCHEMBL4730288

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.42
▸ CNR1 P21554 6/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GPR55 Q9Y2T6 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MARS1 P56192 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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 0.95 LMNA (0.44) CNR2CNR1LMNAMARS1ALDH1A1
SCHEMBL4729374 0.92 CNR2 (0.36) CNR2CNR1CYP1A2CYP2D6MAPT
SCHEMBL4728429 0.90 MARS1 (0.35) CNR2CNR1CYP1A2CYP2D6MAPT
SCHEMBL4730638 0.90 MARS1 (0.43) CNR2CNR1LMNAMARS1ALDH1A1
SCHEMBL4783366 0.90 RIPK1 (0.35) CNR2CNR1CYP1A2CYP2D6MAPT
SCHEMBL4729440 0.89 CNR1 (0.43) CNR2CNR1LMNAMARS1
SCHEMBL4730418 0.89 CNR2 (0.43) CNR2CNR1LMNAMARS1
SCHEMBL4729313 0.89 CNR1 (0.44) CNR2CNR1MARS1
SCHEMBL4728972 0.89 MARS1 (0.48) CNR2CNR1MARS1
SCHEMBL4784498 0.87 MARS1 (0.49) CNR2CNR1MARS1

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 claimed
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