SCHEMBL21891276

SCHEMBL21891276

CC(C)Oc1ccc(C2=NC(c3cccc4c3CCC4)=NC2)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.51
▸ S1PR3 Q99500 3/20 0.51
▸ S1PR2 O95136 2/20 0.44
▸ S1PR4 O95977 2/20 0.44
▸ S1PR5 Q9H228 2/20 0.44

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
SCHEMBL12667075 0.78 S1PR1 (0.54) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL20058111 0.78 S1PR1 (0.55) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL19508226 0.78 S1PR1 (0.53) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL12509132 0.78 S1PR1 (0.81) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL12666856 0.77 S1PR1 (0.55) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL13974230 0.77 S1PR1 (0.56) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL19507506 0.77 S1PR1 (0.54) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL19508199 0.77 S1PR1 (0.54) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL19507155 0.76 S1PR1 (0.68) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL19507442 0.76 S1PR1 (0.50) S1PR1S1PR3S1PR2S1PR4S1PR5

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
WO-2020053334-A1 A PROCESS FOR THE PREPARATION OF OZANIMOD AND ITS INTERMEDIATE (S)-1-AMINO-2,3-DIHYDRO-1H-INDENE-4-CARBONITRILE PHARMAZELL GMBH (DE) 2020-03-19 — — WO disclosed
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