SCHEMBL7138797

SCHEMBL7138797

Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 1.00
PSMB1 P20618 1/20 0.69
PSMB5 P28074 1/20 0.69
PSMB2 P49721 1/20 0.69
HRH3 Q9Y5N1 3/20 0.61
KCNH2 Q12809 1/20 0.61
MCHR1 Q99705 1/20 0.61
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGS2 P35354 1/20 0.58

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
SCHEMBL7138782 0.88 LTA4H (0.79) LTA4HHRH3KCNH2MCHR1LMNA
SCHEMBL7134872 0.86 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7140970 0.84 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7140302 0.84 LTA4H (0.73) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7133844 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7141103 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7132044 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL14970675 0.80 SMN1; SMN2 (0.85) LTA4HHRH3LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL14966290 0.79 SMN1; SMN2 (0.82) LTA4HHRH3LMNAMAPK1HTT
Ammonia Solution, Strong SCHEMBL2926473 0.79 LTA4H (0.64) LTA4HHRH3HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed