SCHEMBL28352108

SCHEMBL28352108

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
RORC P51449 6/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.38
MGLL Q99685 1/20 0.37
FAAH O00519 1/20 0.37
CHRM4 P08173 1/20 0.35
MTOR P42345 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35

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
SCHEMBL28352107 1.00 KCNH2 (0.44) KCNH2RORCPTGDR2MGLLFAAH
SCHEMBL17294383 0.87 KCNH2 (0.59) KCNH2RORC
SCHEMBL17294431 0.87 KCNH2 (0.51) KCNH2RORCPTGDR2CHRM4
SCHEMBL17294434 0.87 KCNH2 (0.51) KCNH2RORCPTGDR2CHRM4
SCHEMBL17294381 0.87 KCNH2 (0.59) KCNH2RORC
SCHEMBL18787518 0.86 KCNH2 (0.41) KCNH2RORCPTGDR2MTORRPTOR
SCHEMBL17298113 0.86 KCNH2 (0.41) KCNH2RORCPTGDR2MTORRPTOR
SCHEMBL21354240 0.85 RORC (0.41) KCNH2RORCPTGDR2MGLLFAAH
SCHEMBL21354238 0.83 PTGDR2 (0.49) RORCPTGDR2MGLL
SCHEMBL28356264 0.83 PTGDR2 (0.49) RORCPTGDR2MGLL

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
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