SCHEMBL7820186

SCHEMBL7820186

Cc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(OCC3CNC(=O)N3C(=O)OCc3ccccc3)cc2)ccc1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.46
S1PR5 Q9H228 4/20 0.46
HRH3 Q9Y5N1 10/20 0.41
MCHR1 Q99705 2/20 0.40
PDGFRA P16234 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKD3 O94806 1/20 0.38
CDK7 P50613 1/20 0.38
JAK3 P52333 1/20 0.38
TNK2 Q07912 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL6172132 0.86 F2 (0.55) S1PR1S1PR5HRH3MCHR1F2
SCHEMBL7819916 0.83 S1PR1 (0.40) S1PR1S1PR5HRH3MCHR1PDGFRA
SCHEMBL7352515 0.80 S1PR1 (0.53) S1PR1S1PR5HRH3MCHR1PDGFRA
SCHEMBL7818365 0.79 S1PR1 (0.45) S1PR1S1PR5HRH3MCHR1F2
SCHEMBL7825481 0.78 F2 (0.45) S1PR1S1PR5HRH3MCHR1L3MBTL1
SCHEMBL7820895 0.76 S1PR1 (0.47) S1PR1S1PR5HRH3MCHR1PRKD3
SCHEMBL7810102 0.73 F2 (0.49) F2
SCHEMBL7442536 0.71 CD274 (0.49) HRH3F2
SCHEMBL7447052 0.71 CD274 (0.55) HRH3F2
SCHEMBL7812445 0.70 F2 (0.49) F2

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
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed