SCHEMBL6962494

SCHEMBL6962494

COc1c[c]cc(OCCN2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.57
HRH3 Q9Y5N1 2/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
PSMB1 P20618 3/20 0.48
PSMB5 P28074 3/20 0.48
PSMB2 P49721 2/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL7443798 0.81 PSMB1 (0.50) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL7445444 0.80 PSMB1 (0.44) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL14970714 0.79 HRH3 (0.76) LTA4HHRH3KDM4EALDH1A1KMT2A
SCHEMBL15474805 0.79 HRH3 (0.76) LTA4HHRH3KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL14966772 0.78 HRH3 (0.74) LTA4HHRH3KDM4EALDH1A1KMT2A
SCHEMBL14970684 0.78 LTA4H (0.82) LTA4HHRH3KDM4EPOLBPSMB1
SCHEMBL15257179 0.78 LTA4H (0.82) LTA4HHRH3KDM4EPOLBPSMB1
SCHEMBL6957435 0.78 LTA4H (0.76) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL27081892 0.77 LTA4H (0.59) LTA4HHRH3KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL14966283 0.77 LTA4H (0.79) LTA4HHRH3KDM4EPOLBPSMB1

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed