SCHEMBL1663755

SCHEMBL1663755

CC(c1ccc(-c2nc3c(ccc4ncccc43)s2)c(F)c1)N1CC(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.50
S1PR3 Q99500 10/20 0.48
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL1661730 0.81 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL1661710 0.77 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1662175 0.76 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1663763 0.75 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3423992 0.74 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL1663747 0.74 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL1661299 0.72 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL15163447 0.72 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL3419846 0.72 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL1661974 0.72 S1PR1 (0.69) 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