SCHEMBL7141670

SCHEMBL7141670

Nc1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.73
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 1/20 0.48
TSHR P16473 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
SCHEMBL7136486 0.91 LTA4H (0.73) LTA4HL3MBTL1NPC1RAB9ALMNA
SCHEMBL7136549 0.85 LTA4H (1.00) LTA4HL3MBTL1LMNASMN1; SMN2ALOX15
SCHEMBL7140945 0.80 LTA4H (1.00) LTA4HL3MBTL1LMNASMN1; SMN2
SCHEMBL7132063 0.77 LTA4H (1.00) LTA4HL3MBTL1LMNASMN1; SMN2
SCHEMBL3767345 0.76 CYP11B1 (0.66) LMNASMN1; SMN2
SCHEMBL7138429 0.75 LTA4H (0.80) LTA4HL3MBTL1RAB9ALMNASMN1; SMN2
SCHEMBL7135333 0.74 LTA4H (0.70) LTA4HL3MBTL1LMNASMN1; SMN2
SCHEMBL7134897 0.74 LTA4H (1.00) LTA4HL3MBTL1LMNASMN1; SMN2
SCHEMBL7140747 0.74 LTA4H (0.89) LTA4HL3MBTL1LMNASMN1; SMN2ALOX15
SCHEMBL3046086 0.74 CYP3A4 (0.47) LTA4HL3MBTL1RAB9ALMNASMN1; 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