SCHEMBL3793334

SCHEMBL3793334

Cc1cc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)C(O)C(O)C(=O)NCC(O)COc4c(C)cc(-c5noc(-c6cc(C)nc(OC(C)C)n6)n5)cc4C)c(C)c3)no2)nc(OC(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 20/20 0.56

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
SCHEMBL3085231 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3085234 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3793332 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3095235 0.91 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3097570 0.91 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL3094354 0.89 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL3095824 0.86 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL3074647 0.86 S1PR1 (0.77) S1PR1S1PR3
SCHEMBL3088258 0.86 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL3074644 0.86 S1PR1 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 WO disclosed