SCHEMBL29613541

SCHEMBL29613541

Cc1c(CN2CCN(C(=O)OC(C)C)[C@@H](C)C2)cc(C(F)F)cc1N=C=S

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.34
KCNH2 Q12809 3/20 0.34
PTGDR2 Q9Y5Y4 8/20 0.33
CCR1 P32246 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL19785788 1.00 RORC (0.34) RORCKCNH2PTGDR2CCR1MGLL
SCHEMBL21368553 0.91 MAPT (0.37) RORCKCNH2PTGDR2CCR1
SCHEMBL28278573 0.90
SCHEMBL19785969 0.89 RORC (0.35) RORCKCNH2PTGDR2CCR1MGLL
SCHEMBL29613585 0.89 RORC (0.35) RORCKCNH2PTGDR2CCR1MGLL
SCHEMBL21354294 0.88 RORC (0.38) RORCKCNH2PTGDR2MGLL
SCHEMBL29613560 0.88 PTGDR2 (0.41) RORCPTGDR2CCR1
SCHEMBL19785976 0.88 PTGDR2 (0.41) RORCPTGDR2CCR1
SCHEMBL29613578 0.84 RORC (0.47) RORCKCNH2
SCHEMBL19785980 0.84 RORC (0.47) 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