SCHEMBL1490118

SCHEMBL1490118

CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cc(C)c(OCCN3CCC[C@H]3C(=O)O)c(C)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.58
S1PR3 Q99500 8/20 0.57
S1PR4 O95977 1/20 0.55
S1PR5 Q9H228 1/20 0.55

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
SCHEMBL1490117 1.00 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489467 0.98 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1490119 0.94 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1490121 0.94 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489393 0.92 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489395 0.92 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489379 0.90 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5
SCHEMBL12779906 0.88 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488803 0.88 S1PR1 (0.66) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1490298 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305660-A1 New thiadiazole derivatives Almirall, S.A. (ES) 2011-04-06 EP claimed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 WO claimed
EP-2305660-A1 New thiadiazole derivatives Almirall, S.A. (ES) 2011-04-06 EP disclosed
WO-2011035900-A1 NEW THIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-03-31 WO disclosed