SCHEMBL21028291

SCHEMBL21028291

O=C(O)C1CCc2c(Cc3cccnc3Sc3ccc(Cl)cc3)c3ccccc3n2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.42
PTGDR Q13258 2/20 0.42
TBXA2R P21731 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL21028003 0.82 PTGDR2 (0.49) PTGDR2PTGDRTBXA2R
SCHEMBL21028085 0.80 PTGDR2 (0.43) PTGDR2PTGDRTBXA2R
SCHEMBL21028015 0.74 ALDH1A1 (0.38) PTGDR2ALDH1A1
SCHEMBL21027860 0.71 PTGDR2 (0.49) PTGDR2PTGDRTBXA2R
SCHEMBL21027861 0.70 PTGDR2 (0.43) PTGDR2PTGDRTBXA2R
SCHEMBL21027854 0.69 PTGDR2 (0.46) PTGDR2PTGDRTBXA2R
SCHEMBL21028018 0.69 PTGDR2 (0.34) PTGDR2PTGDRTDP1
SCHEMBL21027853 0.67 PTGDR2 (0.46) PTGDR2PTGDRTBXA2R
SCHEMBL21027872 0.67 PTGDR2 (0.43) PTGDR2PTGDRTBXA2R
SCHEMBL21028284 0.65 HTR2A (0.46) PTGDR2PTGDRTBXA2R

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-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed