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Sugi Predict / Compounds / SCHEMBL1661289

SCHEMBL1661289

SCHEMBL1661289

O=C(O)CCN(c1ccc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)c(F)c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 20/20 0.56
▸ S1PR3 Q99500 8/20 0.55
▸ S1PR5 Q9H228 1/20 0.48

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
SCHEMBL1662506 0.93 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL1661286 0.90 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL1661949 0.87 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1661642 0.86 S1PR1 (0.58) S1PR1S1PR3
Hydrochloric Acid SCHEMBL1662573 0.86 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1662504 0.84 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL1661637 0.82 S1PR1 (0.48) S1PR1S1PR3S1PR5
SCHEMBL1662062 0.81 S1PR1 (0.79) S1PR1S1PR3S1PR5
SCHEMBL1661207 0.80 S1PR1 (0.78) S1PR1S1PR3S1PR5
SCHEMBL1661831 0.79 S1PR1 (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524906-A — — 2011-09-08 — — JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 — — EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 — — WO claimed
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