SCHEMBL7132003

SCHEMBL7132003

O=C(CCNCCCOc1ccc(Cc2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.65
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 1/20 0.53
FKBP1A P62942 1/20 0.52
S1PR1 P21453 4/20 0.52
S1PR3 Q99500 2/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
S1PR5 Q9H228 1/20 0.50

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
SCHEMBL7136224 0.80 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7134887 0.78 LTA4H (0.80) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7132993 0.77 LTA4H (0.78) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7139455 0.77 LTA4H (0.92) LTA4HS1PR1S1PR3S1PR5
SCHEMBL3336256 0.76 LTA4H (0.67) LTA4HRAB9A
SCHEMBL7135460 0.76 LTA4H (1.00) LTA4HS1PR1S1PR3RAB9AS1PR5
Hydrochloric Acid SCHEMBL10506417 0.75 LTA4H (0.65) LTA4HRAB9A
SCHEMBL7141653 0.75 LTA4H (0.80) LTA4HS1PR1S1PR3RAB9AS1PR5
SCHEMBL7139744 0.74 LTA4H (1.00) LTA4HS1PR1S1PR3
SCHEMBL7135151 0.73 LTA4H (0.73) LTA4HGAAS1PR1S1PR3S1PR5

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