SCHEMBL3354345

SCHEMBL3354345

CC(=O)c1cn(C2CCN(C)CC2)c2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ASH1L Q9NR48 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
CREBBP Q92793 2/20 0.36
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

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
SCHEMBL3357845 0.90 OPRM1 (0.49) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3352488 0.87 AVPR1A (0.42) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL13537280 0.83 AVPR1A (0.44) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3354325 0.81 AVPR1A (0.43) AVPR1APTGDR2ALDH1A1MEN1KMT2A
SCHEMBL3356791 0.80 ASH1L (0.39) AVPR1AOPRM1OPRK1OPRL1ASH1L
SCHEMBL3352326 0.79 ASH1L (0.40) AVPR1AASH1LHTR1DHTR1BPRKCG
SCHEMBL3356885 0.79 KDM4E (0.42) AVPR1AASH1LPTGDR2HTR1DHTR1B
SCHEMBL3350475 0.76 KDM1A (0.40) ASH1L
SCHEMBL13537308 0.75 OPRM1 (0.47) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3358236 0.73 ALDH1A1 (0.47) AVPR1AOPRM1OPRD1OPRK1OPRL1

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