SCHEMBL29613285

SCHEMBL29613285

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.35
KCNH2 Q12809 3/20 0.35
CCR1 P32246 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL28722514 1.00 RORC (0.35) RORCKCNH2CCR1PTGDR2
SCHEMBL19786020 1.00 RORC (0.35) RORCKCNH2CCR1PTGDR2
SCHEMBL29613304 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368565 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL21368985 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL28721956 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613346 0.93 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL22383786 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL19786076 0.92 RORC (0.36) RORCKCNH2CCR1PTGDR2
SCHEMBL29613272 0.92 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