SCHEMBL23966580

SCHEMBL23966580

CCC(C)COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4c3CCCC4)nc2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.55
RHEB Q15382 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
AKR1B1 P15121 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL23908754 0.90 S1PR2 (0.67) S1PR2RHEBPRKAG1PRKAA2PRKAA1
SCHEMBL23908873 0.90 S1PR2 (0.68) S1PR2RHEBPRKAG1PRKAA2PRKAA1
SCHEMBL23908798 0.87 S1PR2 (0.66) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908727 0.85 S1PR2 (0.69) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23908751 0.84 S1PR2 (0.67) S1PR2PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL23915330 0.82 S1PR2 (0.56) S1PR2RHEBMAPT
SCHEMBL23915346 0.81 S1PR2 (0.55) S1PR2RHEBCNR2
SCHEMBL23914689 0.79 S1PR2 (0.60) S1PR2PTGDR2AKR1B1MAPT
SCHEMBL23915323 0.79 S1PR2 (0.54) S1PR2AKR1B1MAPT
SCHEMBL23914679 0.79 S1PR2 (0.56) S1PR2AKR1B1

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