SCHEMBL28356264

SCHEMBL28356264

Cc1c(N)cc(Cl)cc1CN1CCN(C(=O)O)C(C)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.49
RORC P51449 4/20 0.48
MGLL Q99685 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
SCHEMBL21354238 1.00 PTGDR2 (0.49) PTGDR2RORCMGLL
SCHEMBL21354240 0.88 RORC (0.41) PTGDR2RORCMGLL
SCHEMBL19785778 0.87 PTGDR2 (0.63) PTGDR2RORC
SCHEMBL18787519 0.87 RORC (0.45) PTGDR2RORCMGLL
SCHEMBL18787544 0.87 RORC (0.47) PTGDR2RORCMGLL
SCHEMBL17294350 0.87 PTGDR2 (0.48) PTGDR2RORC
SCHEMBL17295577 0.87 RORC (0.45) PTGDR2RORCMGLL
SCHEMBL17295622 0.87 RORC (0.47) PTGDR2RORCMGLL
SCHEMBL17294352 0.87 PTGDR2 (0.48) PTGDR2RORC
SCHEMBL17182295 0.86 RORC (0.65) PTGDR2RORC

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
CN-107001342-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed