SCHEMBL29613329

SCHEMBL29613329

Cc1cc(CN2CCN(C(=O)OC(C)C)[C@@H](C)C2)c(C)c(Nc2nnc([C@H](C)O)o2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.36
KCNH2 Q12809 3/20 0.35
CCR1 P32246 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MGLL Q99685 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL28722678 1.00 RORC (0.36) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL19785618 1.00 RORC (0.36) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL29613302 1.00 RORC (0.36) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL19785935 1.00 RORC (0.36) RORCKCNH2CCR1PTGDR2MGLL
SCHEMBL28722184 0.94 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613272 0.94 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL19786076 0.94 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL28722523 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368989 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613315 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2

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