SCHEMBL6205346

SCHEMBL6205346

COC(=O)CCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
CNR1 P21554 1/20 0.52
FFAR1 O14842 1/20 0.50
MAPK14 Q16539 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
DAO P14920 1/20 0.49
CETP P11597 3/20 0.48
VNN1 O95497 1/20 0.47
BACE1 P56817 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL17261656 0.91 HDAC1 (0.54) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL3939774 0.86 PPARA (0.51) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL378549 0.85 VNN1 (0.52) CHRM2CHRM1CHRM3CNR1MAPK14
SCHEMBL5181367 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL27997591 0.85 CHRM2 (0.55) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL1271844 0.84 FFAR1 (0.67) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL63100 0.83 HDAC1 (0.61) CHRM2CHRM1CHRM3
SCHEMBL30487710 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL6207887 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3CNR1FFAR1
SCHEMBL5724443 0.82 CHRM2 (0.52) CHRM2CHRM1CHRM3CNR1FFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312939-A Heterocyclic cetp inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-11-26 CN disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed