SCHEMBL3356791

SCHEMBL3356791

CCc1cn(C2CCN(C)CC2)c2cc(N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.39
OPRM1 P35372 7/20 0.38
OPRL1 P41146 7/20 0.38
OPRK1 P41145 5/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCZ Q05513 2/20 0.37
PRKCD Q05655 2/20 0.37
CAMK2B Q13554 2/20 0.37
CAMK2G Q13555 2/20 0.37
CAMK2D Q13557 2/20 0.37
CAMK2A Q9UQM7 2/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
AVPR1A P37288 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3356885 0.81 KDM4E (0.42) ASH1LHTR1DHTR1BPRKCGPRKCB
SCHEMBL3352326 0.81 ASH1L (0.40) ASH1LHTR1DHTR1BPRKCGPRKCB
SCHEMBL3357845 0.80 OPRM1 (0.49) ASH1LOPRM1OPRL1OPRK1HTR1D
SCHEMBL3354345 0.80 AVPR1A (0.46) ASH1LOPRM1OPRL1OPRK1HTR1D
SCHEMBL3350475 0.78 KDM1A (0.40) ASH1L
SCHEMBL3352488 0.77 AVPR1A (0.42) ASH1LOPRM1OPRL1OPRK1HTR1D
SCHEMBL3358219 0.74 HTR1D (0.43) ASH1LHTR1DHTR1BPRKCGPRKCB
SCHEMBL13537604 0.73 HTR1D (0.37) OPRM1OPRL1HTR1DHTR1BGAA
SCHEMBL3352865 0.71 HTR1D (0.51) OPRM1OPRL1OPRK1HTR1DHTR1B
SCHEMBL21600837 0.69 OPRL1 (0.54) OPRM1OPRL1OPRK1PRKCGPRKCB

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed