SCHEMBL17797404

SCHEMBL17797404

CCOc1ccc(-c2nc(-c3cc4cc(C(N)(CO)CO)oc4cc3Cl)no2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.63
S1PR3 Q99500 5/20 0.63
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL17797407 0.91 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL9996209 0.91 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL15703888 0.89 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL9996166 0.88 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL17797406 0.85 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL17805162 0.85 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL177229 0.81 S1PR1 (0.78) S1PR1S1PR3
SCHEMBL9996208 0.81 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL15497196 0.81 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL15499276 0.80 S1PR1 (0.66) S1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP claimed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed