SCHEMBL1661604

SCHEMBL1661604

COC(=O)C1CN(CCCc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR3 Q99500 5/20 0.71
S1PR5 Q9H228 1/20 0.71

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
SCHEMBL1661503 0.96 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL1661267 0.93 S1PR1 (0.82) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1662005 0.92 S1PR1 (0.81) S1PR1S1PR3S1PR5
SCHEMBL1661182 0.91 S1PR1 (0.85) S1PR1S1PR3S1PR5
SCHEMBL1661446 0.88 S1PR1 (0.85) S1PR1S1PR3S1PR5
SCHEMBL1661975 0.88 S1PR1 (0.85) S1PR1S1PR3S1PR5
SCHEMBL1660240 0.88 S1PR1 (0.86) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL1663931 0.87 S1PR1 (0.83) S1PR1S1PR3S1PR5
SCHEMBL1661548 0.87 S1PR1 (0.78) S1PR1S1PR3S1PR5
SCHEMBL1663633 0.87 S1PR1 (0.78) 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