SCHEMBL1967580

SCHEMBL1967580

CCCCN(C(=O)Cc1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1.CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)OCC)C3)cc2)s1.CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCC(=O)O)cc2)s1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR3 Q99500 8/20 0.71
S1PR4 O95977 1/20 0.71
S1PR5 Q9H228 1/20 0.71

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
SCHEMBL1968272 0.94 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964968 0.87 S1PR1 (0.82) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966214 0.85 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1647497 0.84 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966417 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1969049 0.80 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964827 0.80 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966989 0.79 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1969050 0.79 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966668 0.79 S1PR1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed