SCHEMBL29055292

SCHEMBL29055292

Cc1nc(C2(C(=O)Nc3ccc(C#N)c(OCCN(C)C)n3)C=CC(c3ccccc3C3CC3)=CC2)no1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
S1PR1 P21453 7/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR2 O95136 1/20 0.30
S1PR3 Q99500 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
SCHEMBL29055288 0.90 CNR2 (0.33) CNR2HCRTR1HCRTR2S1PR1
SCHEMBL29055286 0.90 CNR2 (0.34) CNR2
SCHEMBL29055294 0.90 RORC (0.33) HCRTR1HCRTR2
SCHEMBL29055283 0.89 FGFR4 (0.41) S1PR1
SCHEMBL29055279 0.83 HTR1D (0.34) CNR2S1PR1
SCHEMBL29055289 0.83 CNR2 (0.34) CNR2
SCHEMBL29055287 0.80 RORC (0.33) HCRTR1HCRTR2
SCHEMBL29055291 0.80 MAPK14 (0.32) S1PR1
SCHEMBL29055290 0.80 HTR1D (0.31) S1PR1
SCHEMBL29055285 0.79 FGFR4 (0.39) S1PR1

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-116635390-A Potent and selective compounds as serotonin 1B receptor modulators 莱科斯生物技术公司 2023-08-22 CN claimed
CN-116635390-A Potent and selective compounds as serotonin 1B receptor modulators 莱科斯生物技术公司 2023-08-22 CN disclosed