SCHEMBL3352488

SCHEMBL3352488

CN1CCC(n2cc(C(=O)C(C)(C)C)c3ccc(N)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.42
ASH1L Q9NR48 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 4/20 0.36
MELK Q14680 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34

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 0.87 OPRM1 (0.49) AVPR1AASH1LOPRM1OPRD1OPRK1
SCHEMBL3354345 0.87 AVPR1A (0.46) AVPR1AASH1LOPRM1OPRD1OPRK1
SCHEMBL13537313 0.84 AVPR1A (0.41) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3357600 0.82 ACHE (0.42) AVPR1AALDH1A1HTR6MEN1KMT2A
SCHEMBL3356791 0.77 ASH1L (0.39) AVPR1AASH1LOPRM1OPRK1OPRL1
SCHEMBL3352326 0.76 ASH1L (0.40) AVPR1AASH1LHTR6HTR1DHTR1B
SCHEMBL3356885 0.76 KDM4E (0.42) AVPR1AASH1LKDM4EALDH1A1HTR6
SCHEMBL3350475 0.73 KDM1A (0.40) ASH1L
SCHEMBL13537308 0.72 OPRM1 (0.47) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL13537280 0.71 AVPR1A (0.44) 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