SCHEMBL7818690

SCHEMBL7818690

Cc1cc(Cc2[c]cc(OCc3ccccc3)cc2OCC2COC(=O)N2)ccc1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MCHR1 Q99705 6/20 0.39
HRH3 Q9Y5N1 7/20 0.35
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL7819938 0.88 F2 (0.37) S1PR1HRH3ACHEMAOB
SCHEMBL7818365 0.81 S1PR1 (0.45) S1PR1S1PR5MCHR1HRH3CA12
SCHEMBL7819916 0.80 S1PR1 (0.40) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL7818700 0.79 MEN1 (0.41) HRH3MEN1KMT2A
SCHEMBL7818684 0.79 DRD2 (0.41) S1PR1S1PR5MCHR1HRH3
SCHEMBL7819929 0.79 S1PR1 (0.38) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL7818112 0.78 S1PR1 (0.47) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL6172541 0.77 F2 (0.57) S1PR1S1PR5MCHR1
SCHEMBL7830154 0.77 IRAK4 (0.35) MEN1KMT2A
SCHEMBL6966701 0.74 LTA4H (0.47) MCHR1HRH3

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