SCHEMBL29613312

SCHEMBL29613312

Cc1c(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc(Cl)cc1Nc1nnc(C#N)o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.49
RORC P51449 9/20 0.45
KCNH2 Q12809 1/20 0.42
CCR1 P32246 2/20 0.40
DHODH Q02127 1/20 0.38
SMO Q99835 1/20 0.37
MTOR P42345 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19786009 1.00 PTGDR2 (0.49) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL21368756 0.92 PTGDR2 (0.49) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL19786001 0.89 PTGDR2 (0.48) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL29613279 0.89 PTGDR2 (0.48) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL19785909 0.87 PTGDR2 (0.50) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL21354245 0.87 PTGDR2 (0.50) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL29613549 0.87 PTGDR2 (0.50) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL21354355 0.86 PTGDR2 (0.49) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL19786057 0.86 PTGDR2 (0.51) PTGDR2RORCKCNH2CCR1DHODH
SCHEMBL21354360 0.83 PTGDR2 (0.46) PTGDR2RORCKCNH2CCR1DHODH

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