SCHEMBL29613552

SCHEMBL29613552

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.59
KCNH2 Q12809 3/20 0.55
DHODH Q02127 1/20 0.38

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
SCHEMBL21354314 1.00 RORC (0.59) RORCKCNH2DHODH
SCHEMBL19785886 0.98 RORC (0.57) RORCKCNH2
SCHEMBL21354330 0.88 RORC (0.46) RORCKCNH2
SCHEMBL19785981 0.87 RORC (0.57) RORCKCNH2
SCHEMBL19785875 0.83 RORC (0.41) RORCKCNH2
SCHEMBL19785971 0.83 RORC (0.41) RORCKCNH2
SCHEMBL21354320 0.81 RORC (0.55) RORCKCNH2
SCHEMBL21354338 0.80 RORC (0.53) RORCKCNH2
SCHEMBL29613586 0.80 RORC (0.53) RORCKCNH2
SCHEMBL19786042 0.80 RORC (0.53) 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