SCHEMBL1969050

SCHEMBL1969050

CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)OC(=O)C4CN(Cc5ccc(-c6nnc(N(CCCC)C(=O)c7ccccc7F)s6)c(C)c5)C4)C3)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.72
S1PR3 Q99500 8/20 0.72
S1PR4 O95977 1/20 0.72
S1PR5 Q9H228 1/20 0.72

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
SCHEMBL1969049 0.95 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL3629337 0.91 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964408 0.89 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1963847 0.88 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966681 0.87 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966562 0.87 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964968 0.86 S1PR1 (0.82) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966992 0.85 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966424 0.85 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1965526 0.85 S1PR1 (0.62) 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