SCHEMBL29613296

SCHEMBL29613296

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
RORC P51449 9/20 0.35
FASN P49327 1/20 0.31
CCR1 P32246 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL21368750 1.00 KCNH2 (0.36) KCNH2RORCFASNCCR1PTGDR2
SCHEMBL19786031 0.91 RORC (0.36) KCNH2RORCFASNCCR1PTGDR2
SCHEMBL28720859 0.89 RORC (0.36) KCNH2RORCCCR1PTGDR2
SCHEMBL29613318 0.89 RORC (0.36) KCNH2RORCCCR1PTGDR2
SCHEMBL29613311 0.89 RORC (0.36) KCNH2RORCCCR1PTGDR2
SCHEMBL21368604 0.89 RORC (0.36) KCNH2RORCCCR1PTGDR2
SCHEMBL21368605 0.89 RORC (0.36) KCNH2RORCCCR1PTGDR2
SCHEMBL21354266 0.89 KCNH2 (0.39) KCNH2RORCFASNPTGDR2TP53
SCHEMBL21368883 0.88 RORC (0.38) KCNH2RORCCCR1PTGDR2
SCHEMBL29613289 0.88 RORC (0.38) KCNH2RORCCCR1PTGDR2

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