SCHEMBL1662072

SCHEMBL1662072

C[C@H](N[S+]([O-])C(C)(C)C)c1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.45
S1PR3 Q99500 6/20 0.41

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
SCHEMBL1662068 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL3423170 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL3420243 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1662070 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1661950 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1662179 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL3419187 0.89 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1661568 0.82 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL1661953 0.81 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1663901 0.79 S1PR1 (0.52) S1PR1S1PR3

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-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed