SCHEMBL1965807

SCHEMBL1965807

CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(=O)n(C)c2)s1.CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.85
S1PR3 Q99500 9/20 0.85
S1PR4 O95977 1/20 0.58
S1PR5 Q9H228 1/20 0.58

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
SCHEMBL1489262 0.92 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964375 0.88 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966417 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27838317 0.85 S1PR1 (0.86) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488774 0.84 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27838419 0.81 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1648953 0.81 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1489124 0.81 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1968480 0.81 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1488809 0.80 S1PR1 (0.77) 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 claimed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO claimed