SCHEMBL29613593

SCHEMBL29613593

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.42
RORC P51449 1/20 0.41
SETD7 Q8WTS6 1/20 0.37
CCR1 P32246 1/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 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
SCHEMBL21368973 1.00 PTGDR2 (0.42) PTGDR2RORCSETD7CCR1VEGFA
SCHEMBL29613569 0.91 SETD7 (0.36) PTGDR2RORCSETD7
SCHEMBL19785979 0.91 SETD7 (0.36) PTGDR2RORCSETD7
SCHEMBL19785964 0.91 PTGDR2 (0.43) PTGDR2RORCSETD7CCR1VEGFA
SCHEMBL29613560 0.88 PTGDR2 (0.41) PTGDR2RORCCCR1
SCHEMBL19785976 0.88 PTGDR2 (0.41) PTGDR2RORCCCR1
SCHEMBL21354226 0.88 PTGDR2 (0.45) PTGDR2RORCCCR1
SCHEMBL15784144 0.84 PTGDR2 (0.45) PTGDR2RORCCCR1VEGFAEGLN1
SCHEMBL15776880 0.84 PTGDR2 (0.45) PTGDR2RORCCCR1VEGFAEGLN1
SCHEMBL17304394 0.84 PTGDR2 (0.45) PTGDR2RORCCCR1VEGFAEGLN1

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