SCHEMBL16026850

SCHEMBL16026850

CCOC(=O)Cn1c2c(c3cc(OC)ccc31)CC(Nc1ncc(Cl)cn1)CC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.62
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL16026818 0.92 PTGDR2 (0.66) PTGDR2
SCHEMBL16026942 0.91 PTGDR2 (0.65) PTGDR2HSD17B10
SCHEMBL16026869 0.91 PTGDR2 (0.61) PTGDR2
SCHEMBL16026858 0.88 PTGDR2 (0.61) PTGDR2ALDH1A1
SCHEMBL16026870 0.87 PTGDR2 (0.63) PTGDR2
SCHEMBL16026711 0.80 PTGDR2 (0.69) PTGDR2
Bromide SCHEMBL16026795 0.78 AKR1B10 (0.54) PTGDR2AKR1B10AKR1B1MEN1ALDH1A1
SCHEMBL16026810 0.77 AKR1B10 (0.48) PTGDR2AKR1B10AKR1B1MEN1ALDH1A1
SCHEMBL2467360 0.77 PTGDR2 (1.00) PTGDR2
SCHEMBL16026903 0.77 PTGDR2 (1.00) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558447-B1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-17 EP disclosed