SCHEMBL23966545

SCHEMBL23966545

COC(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2cccc(C)c2c1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 13/20 0.61
KCNH2 Q12809 1/20 0.36
P2RX3 P56373 4/20 0.34
CSF1R P07333 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.32
DCPS Q96C86 1/20 0.32

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
SCHEMBL23908881 0.88 S1PR2 (0.78) S1PR2KCNH2P2RX3CSF1R
SCHEMBL23915484 0.88 S1PR2 (0.68) S1PR2KCNH2P2RX3CSF1R
SCHEMBL23915483 0.77 S1PR2 (0.85) S1PR2KCNH2P2RX3
SCHEMBL23908765 0.76 S1PR2 (1.00) S1PR2KCNH2P2RX3
SCHEMBL23908757 0.76 S1PR2 (1.00) S1PR2KCNH2P2RX3
SCHEMBL23914863 0.75 S1PR2 (0.88) S1PR2KCNH2P2RX3
SCHEMBL23909078 0.74 S1PR2 (0.86) S1PR2KCNH2P2RX3
SCHEMBL23908764 0.74 S1PR2 (1.00) S1PR2KCNH2P2RX3
SCHEMBL23908766 0.74 S1PR2 (1.00) S1PR2KCNH2P2RX3
SCHEMBL23908810 0.73 S1PR2 (0.81) S1PR2KCNH2P2RX3

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