SCHEMBL23966546

SCHEMBL23966546

CC[C@H](C)CCOCn1c(Cn2nc(CC(=O)O)c(=O)c3ccccc32)cc2cc(Cl)c(OCC3CC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 17/20 0.56
KCNH2 Q12809 1/20 0.40
KMO O15229 1/20 0.35
P2RX3 P56373 2/20 0.34

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
SCHEMBL23909024 0.89 S1PR2 (0.59) S1PR2KCNH2KMOP2RX3
SCHEMBL23914568 0.89 S1PR2 (0.58) S1PR2KCNH2KMOP2RX3
SCHEMBL23908923 0.83 S1PR2 (0.51) S1PR2KCNH2KMOP2RX3
SCHEMBL23914587 0.82 S1PR2 (0.50) S1PR2KCNH2KMOP2RX3
SCHEMBL23908856 0.75 S1PR2 (0.67) S1PR2KCNH2KMO
SCHEMBL23908757 0.72 S1PR2 (1.00) S1PR2KCNH2P2RX3
SCHEMBL23915483 0.67 S1PR2 (0.85) S1PR2KCNH2P2RX3
SCHEMBL23908812 0.67 S1PR2 (0.57) S1PR2
SCHEMBL23908813 0.66 S1PR2 (0.81) S1PR2
SCHEMBL23909068 0.65 KMO (0.37) KMO

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