SCHEMBL7810102

SCHEMBL7810102

Cc1cc(Cc2ccc(O)cc2-c2ccc(OCC3CNC(=O)N3)cc2)ccc1CN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.49
ACHE P22303 2/20 0.36
MAOB P27338 2/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36

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
SCHEMBL7812445 0.87 F2 (0.49) F2ESR1ESR2
SCHEMBL7818611 0.86 F2 (0.48) F2ACHEMAOBESR1ESR2
SCHEMBL6173041 0.85 F2 (0.71) F2ESR1ESR2
Oxalic Acid SCHEMBL6171607 0.83 F2 (0.68) F2ESR1ESR2
SCHEMBL7817476 0.80 F2 (0.55) F2ESR1ESR2
SCHEMBL7825326 0.79 F2 (0.51) F2
SCHEMBL7451351 0.79 F2 (0.58) F2ESR1ESR2
SCHEMBL7809457 0.78 F2 (0.41) F2
SCHEMBL7818365 0.76 S1PR1 (0.45) F2ACHEMAOB
SCHEMBL7830026 0.76 F2 (0.51) F2ESR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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