SCHEMBL29613591

SCHEMBL29613591

Cc1c(N)cc(Cl)cc1CN1CCN(C(=O)OC(C)C)[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.44
RORC P51449 2/20 0.44
CCR1 P32246 1/20 0.37
KCNH2 Q12809 2/20 0.35

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
SCHEMBL19785590 1.00 PTGDR2 (0.44) PTGDR2RORCCCR1KCNH2
SCHEMBL29613551 0.90 PTGDR2 (0.38) PTGDR2RORCKCNH2
SCHEMBL19785781 0.90 PTGDR2 (0.38) PTGDR2RORCKCNH2
SCHEMBL29613565 0.86 RORC (0.36) PTGDR2RORCKCNH2
SCHEMBL19785893 0.86 RORC (0.36) PTGDR2RORCKCNH2
SCHEMBL17304394 0.86 PTGDR2 (0.45) PTGDR2RORCCCR1
SCHEMBL15776880 0.86 PTGDR2 (0.45) PTGDR2RORCCCR1
SCHEMBL29613547 0.86 PTGDR2 (0.45) PTGDR2RORCCCR1
SCHEMBL15784144 0.86 PTGDR2 (0.45) PTGDR2RORCCCR1
SCHEMBL19785967 0.85 PTGDR2 (0.43) PTGDR2RORCCCR1KCNH2

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