SCHEMBL2312031

SCHEMBL2312031

CN(C(=O)C1CCC(=O)CC1)c1ccccc1.O=C(Cl)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MAOA P21397 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
PDK2 Q15119 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2312935 0.94 LMNA (0.49) FASNLMNAHTTPOLBPKM
SCHEMBL9001880 0.82 HTT (0.59) FASNLMNAHTTPOLBPKM
SCHEMBL1522068 0.82 HTT (0.59) FASNLMNAHTTPOLBPKM
SCHEMBL9001847 0.79 FASN (0.52) FASNLMNAHTTPOLBPKM
SCHEMBL8819827 0.78 PKM (0.59) FASNLMNAHTTPOLBPKM
SCHEMBL9001894 0.76 FASN (0.55) FASNLMNAHTTPOLBPKM
SCHEMBL13841220 0.76 HTT (0.53) FASNLMNAHTTPOLBPKM
SCHEMBL4802576 0.75 LMNA (0.49) FASNLMNAHTTPOLBPKM
SCHEMBL29273235 0.75 LMNA (0.49) FASNLMNAHTTPOLBPKM
SCHEMBL28038409 0.73 CHRM3 (0.49) LMNAPKMCHRM2CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833791-B1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-03 EP disclosed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 WO disclosed