SCHEMBL29613586

SCHEMBL29613586

Cc1cc(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)c(C)c(N=C=S)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.53
KCNH2 Q12809 3/20 0.53
GRM1 Q13255 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL21354338 1.00 RORC (0.53) RORCKCNH2GRM1GAA
SCHEMBL19785887 0.98 RORC (0.51) RORCKCNH2GRM1
SCHEMBL29613568 0.98 RORC (0.51) RORCKCNH2GRM1
SCHEMBL21354273 0.87 RORC (0.40) RORCKCNH2
SCHEMBL19785980 0.86 RORC (0.47) RORCKCNH2
SCHEMBL29613578 0.86 RORC (0.47) RORCKCNH2
SCHEMBL19785979 0.83 SETD7 (0.36) RORCKCNH2
SCHEMBL29613569 0.83 SETD7 (0.36) RORCKCNH2
SCHEMBL29613585 0.82 RORC (0.35) RORCKCNH2
SCHEMBL19785969 0.82 RORC (0.35) RORCKCNH2

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-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed