SCHEMBL6947771

SCHEMBL6947771

COc1cc(C(N)=O)ccc1CN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRM1 P35372 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4271324 0.99 L3MBTL1 (0.61) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL3841405 0.89 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPK1
SCHEMBL16380640 0.89 MAPK1 (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPK1
SCHEMBL4263319 0.88 CYP2D6 (0.52) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL2624464 0.87 L3MBTL1 (0.76) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL221544 0.87 KMT2A (0.60) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL2624494 0.86 L3MBTL1 (0.59) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
SCHEMBL6599029 0.86 L3MBTL1 (0.59) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL6174627 0.86 L3MBTL1 (0.62) L3MBTL1KMT2AMEN1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL7348186 0.85 L3MBTL1 (0.61) L3MBTL1KMT2AMEN1MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019047-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-11-05 EP disclosed
US-6541499-B1 Antithrombotic agents ELI LILLY AND COMPANY 2003-04-01 US disclosed
EP-1019047-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-06-13 EP disclosed
EP-1019047-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998048800-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed