SCHEMBL23966647

SCHEMBL23966647

CC1CN(C(=O)Cn2nc(Cc3nc4cc(Cl)c(OCC5(C#N)CC5)cc4[nH]3)c3ccccc3c2=O)CC(C)O1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.60
POLB P06746 3/20 0.35
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23909006 1.00 S1PR2 (0.60) S1PR2POLBCYP2C19
SCHEMBL23908814 0.89 S1PR2 (0.74) S1PR2
SCHEMBL23908805 0.88 S1PR2 (0.69) S1PR2
SCHEMBL23908824 0.87 S1PR2 (0.73) S1PR2POLBCYP2C19
SCHEMBL23914738 0.86 S1PR2 (0.73) S1PR2
SCHEMBL23915332 0.85 S1PR2 (0.58) S1PR2POLBCYP2C19
SCHEMBL23915670 0.84 S1PR2 (0.59) S1PR2POLB
SCHEMBL23908865 0.82 S1PR2 (0.63) S1PR2POLB
SCHEMBL23908738 0.81 S1PR2 (0.78) S1PR2
SCHEMBL23966612 0.80 S1PR2 (0.58) S1PR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed