SCHEMBL1980782

SCHEMBL1980782

CCCCN(Cc1ccccc1F)c1nnc(-c2cc(C)c(OCCN3CCC(C(=O)O)CC3)c(C)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.51
S1PR3 Q99500 6/20 0.51
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
LTA4H P09960 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL1979556 0.93 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488633 0.86 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488771 0.83 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489118 0.82 S1PR1 (0.63) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488651 0.82 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488990 0.82 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5LTA4H
SCHEMBL1488735 0.82 S1PR1 (0.71) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1979878 0.82 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489136 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488698 0.81 S1PR1 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP claimed
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP disclosed
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP disclosed
WO-2011069647-A1 NEW 2-AMINOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-06-16 WO disclosed
WO-2011069647-A1 NEW 2-AMINOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-06-16 WO disclosed