SCHEMBL1661813

SCHEMBL1661813

O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(C6CC(F)(F)C6)CC5I)nc4s3)c(F)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.68
S1PR3 Q99500 15/20 0.68
S1PR5 Q9H228 1/20 0.68

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
SCHEMBL1661787 0.94 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL1662472 0.92 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL1662015 0.89 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL1662012 0.89 S1PR1 (0.74) S1PR1S1PR3S1PR5
SCHEMBL1661643 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL1661641 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL1661696 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL1661645 0.85 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL1661801 0.84 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL1662659 0.83 S1PR1 (0.77) S1PR1S1PR3S1PR5

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