SCHEMBL7447133

SCHEMBL7447133

Cc1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.73
LTA4H P09960 4/20 0.73
KDM4E B2RXH2 1/20 0.62
PSMB1 P20618 4/20 0.61
PSMB5 P28074 4/20 0.61
PSMB2 P49721 3/20 0.61
HRH1 P35367 1/20 0.60
KCNH2 Q12809 1/20 0.60
ACHE P22303 1/20 0.60
MAPK14 Q16539 1/20 0.59

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
SCHEMBL8337754 0.95 HRH3 (0.70) HRH3LTA4HKDM4EPSMB1PSMB5
Hydrochloric Acid SCHEMBL8972891 0.93 HRH3 (0.68) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL82435 0.93 HRH3 (0.73) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL12035585 0.93 HRH3 (0.73) HRH3LTA4HKDM4EPSMB1PSMB5
Hydrochloric Acid SCHEMBL6473996 0.92 HRH3 (0.71) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL15834053 0.91 HRH3 (0.66) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL4089489 0.90 HRH3 (0.84) HRH3HRH1KCNH2
SCHEMBL7443460 0.87 LTA4H (0.77) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL2629440 0.86 HRH3 (0.72) HRH3KDM4EHRH1KCNH2ACHE
SCHEMBL7135133 0.86 LTA4H (0.73) HRH3LTA4HPSMB1PSMB5PSMB2

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-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP 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