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Sugi Predict / Compounds / SCHEMBL1661995

SCHEMBL1661995

SCHEMBL1661995

Cc1cc(-c2nc3ccc(C4(c5ccccc5)C=C4)nc3s2)cc(C)c1CNCCCN1CCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.36
▸ S1PR3 Q99500 4/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ MAOB P27338 3/20 0.34
▸ CACNA1G O43497 2/20 0.34
▸ ACKR3 P25106 1/20 0.34

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
SCHEMBL1661994 0.90 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL1661749 0.85 MAOB (0.39) S1PR1S1PR3MAOB
SCHEMBL1661615 0.77 MAOB (0.40) S1PR1S1PR3MAOB
SCHEMBL1662654 0.75 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL1661765 0.74 S1PR1 (0.41) S1PR1S1PR3MAOB
SCHEMBL1662350 0.74 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1661809 0.74 S1PR1 (0.39) S1PR1S1PR3MAOB
SCHEMBL1661196 0.72 S1PR1 (0.39) S1PR1S1PR3MAOB
SCHEMBL1661867 0.71 S1PR1 (0.38) S1PR1S1PR3MAOB
SCHEMBL1662682 0.70 S1PR1 (0.38) S1PR1S1PR3MAOB

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 3 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