SCHEMBL3356885

SCHEMBL3356885

CN1CCC(n2cc(Cl)c3ccc(N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42
ASH1L Q9NR48 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
AVPR1A P37288 1/20 0.38
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36

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
SCHEMBL3352326 0.83 ASH1L (0.40) ASH1LHTR1DHTR1BAVPR1APRKCG
SCHEMBL3356791 0.81 ASH1L (0.39) ASH1LHTR1DHTR1BAVPR1APRKCG
SCHEMBL3354619 0.81 ASH1L (0.39) ASH1LALDH1A1HTTPTGDR2PDE4A
SCHEMBL3354615 0.81 ASH1L (0.39) ASH1LALDH1A1HTTPTGDR2PDE4A
SCHEMBL3350475 0.80 KDM1A (0.40) ASH1L
SCHEMBL13537284 0.80 AVPR1A (0.38) AVPR1APRKCGPRKCBPRKCAPRKCH
SCHEMBL3354345 0.79 AVPR1A (0.46) KDM4EASH1LHTR1DHTR1BALDH1A1
SCHEMBL3357845 0.79 OPRM1 (0.49) KDM4EMAPTASH1LHTR1DHTR1B
SCHEMBL3352488 0.76 AVPR1A (0.42) KDM4EASH1LHTR1DHTR1BALDH1A1
SCHEMBL15129299 0.76 ALDH1A1 (0.37) KDM4EMAPTRAD52ASH1LALDH1A1

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