SCHEMBL7819922

SCHEMBL7819922

COc1cc(Cc2ccc(O)cc2-c2ccc(CCNC(C)=O)cc2)ccc1CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.56
F2 P00734 10/20 0.55
PTBP1 P26599 1/20 0.46
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7452046 0.86 F2 (0.68) MCHR1F2KDM4EALDH1A1
Oxalic Acid SCHEMBL6174693 0.82 F2 (0.76) MCHR1F2
SCHEMBL7353180 0.82 F2 (0.54) MCHR1F2
SCHEMBL7446038 0.81 F2 (0.62) MCHR1F2KDM4E
SCHEMBL7346685 0.81 F2 (0.62) F2
SCHEMBL7352161 0.80 F2 (0.56) MCHR1F2
SCHEMBL7351119 0.80 F2 (0.51) MCHR1F2
SCHEMBL7348546 0.79 F2 (0.57) MCHR1F2
SCHEMBL7446154 0.79 F2 (0.70) F2
SCHEMBL7355831 0.79 F2 (0.52) MCHR1F2

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