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Sugi Predict / Compounds / SCHEMBL17907970

SCHEMBL17907970

SCHEMBL17907970

COC(=O)C(=O)c1c2n(c3ccc(OC)cc13)CC(N(C)Cc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.49
▸ PTGDR Q13258 3/20 0.46
▸ HTR6 P50406 4/20 0.41
▸ PLA2G2A P14555 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL17907994 0.91 PTGDR2 (0.51) PTGDR2PTGDR
SCHEMBL17907921 0.90 PTGDR2 (0.46) PTGDR2PTGDRKMT2A
SCHEMBL17908000 0.90 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL17907962 0.90 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL17908004 0.89 PTGDR2 (0.50) PTGDR2PTGDR
SCHEMBL17907931 0.85 PTGDR2 (0.47) PTGDR2PTGDR
SCHEMBL17907941 0.85 PTGDR2 (0.47) PTGDR2PTGDR
SCHEMBL17907940 0.84 PTGDR2 (0.59) PTGDR2PTGDR
SCHEMBL17907973 0.83 PTGDR2 (0.47) PTGDR2PTGDRKMT2A
SCHEMBL17908003 0.76 PTGDR2 (0.61) PTGDR2PTGDR

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-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 — — EP disclosed