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Sugi Predict / Compounds / SCHEMBL1661732

SCHEMBL1661732

SCHEMBL1661732

Cc1cc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)ccc1CN1CC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 0.53
▸ S1PR3 Q99500 10/20 0.53
▸ S1PR5 Q9H228 3/20 0.53
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 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
SCHEMBL1661729 0.90 S1PR1 (0.65) S1PR1S1PR3S1PR5
SCHEMBL1662350 0.90 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL1662339 0.87 S1PR1 (0.62) S1PR1S1PR3S1PR5
SCHEMBL1661654 0.84 S1PR1 (0.66) S1PR1S1PR3S1PR5
SCHEMBL1662682 0.82 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL1661900 0.81 S1PR1 (0.66) S1PR1S1PR3S1PR5
SCHEMBL15163586 0.80 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL1662347 0.80 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL1661579 0.79 S1PR1 (0.81) S1PR1S1PR3S1PR5
SCHEMBL1661706 0.76 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 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