SCHEMBL28352091

SCHEMBL28352091

Cc1c(CN2CCN(C(=O)O)C(C)C2)cc(C#N)cc1NC(=O)c1cccc(C#N)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.72
RORC P51449 17/20 0.47
PRKCB P05771 1/20 0.43
GRM5 P41594 1/20 0.40

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
SCHEMBL28352086 1.00 KCNH2 (0.72) KCNH2RORCPRKCBGRM5
SCHEMBL28883114 0.94 KCNH2 (0.81) KCNH2RORCPRKCB
SCHEMBL28883115 0.94 KCNH2 (0.81) KCNH2RORCPRKCB
SCHEMBL18822951 0.90 KCNH2 (0.70) KCNH2RORCPRKCB
SCHEMBL17294257 0.89 KCNH2 (0.90) KCNH2RORC
SCHEMBL17294256 0.89 KCNH2 (0.90) KCNH2RORC
SCHEMBL17294426 0.88 KCNH2 (0.66) KCNH2RORCPRKCB
SCHEMBL17294424 0.88 KCNH2 (0.66) KCNH2RORCPRKCB
SCHEMBL15777536 0.88 KCNH2 (0.79) KCNH2RORCPRKCBGRM5
SCHEMBL15783881 0.88 KCNH2 (0.79) KCNH2RORCPRKCBGRM5

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