SCHEMBL7817465

SCHEMBL7817465

Cc1cc(Cc2ccc(O)cc2OCCC2CCCC2)ccc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
F2 P00734 10/20 0.47
HRH3 Q9Y5N1 3/20 0.42
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.35

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
SCHEMBL7820796 0.86 HPGD (0.44) HPGDF2HRH3DRD2DRD4
Oxalic Acid SCHEMBL6173205 0.76 F2 (0.76) F2
SCHEMBL7818684 0.76 DRD2 (0.41) HPGDF2HRH3DRD2DRD4
SCHEMBL7820895 0.75 S1PR1 (0.47) F2HRH3
SCHEMBL3378826 0.72 MAPK1 (0.53) F2ACHE
SCHEMBL7451351 0.71 F2 (0.58) F2HRH3DRD2
SCHEMBL7452879 0.69 F2 (0.52) F2HRH3ACHE
SCHEMBL7830026 0.68 F2 (0.51) F2
SCHEMBL7452312 0.67 F2 (0.62) F2HRH3DRD2
SCHEMBL7352515 0.67 S1PR1 (0.53) F2HRH3ACHE

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