SCHEMBL7140105

SCHEMBL7140105

CC(CN1CCCCC1)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.97
HRH3 Q9Y5N1 2/20 0.55
TSHR P16473 3/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL7139511 1.00 LTA4H (0.97) LTA4HHRH3TSHRRAB9AHSD17B10
SCHEMBL8773765 0.82 LTA4H (0.70) LTA4HRAB9ASMN1; SMN2SIGMAR1
SCHEMBL7138408 0.82 LTA4H (0.71) LTA4HHRH3TSHRRAB9AHSD17B10
SCHEMBL4512727 0.79 LTA4H (0.62) LTA4HHRH3TSHRSMN1; SMN2POLB
SCHEMBL6838671 0.78 LTA4H (0.62) LTA4HHRH3SMN1; SMN2POLBHIF1A
SCHEMBL8773751 0.78 LTA4H (0.68) LTA4HSIGMAR1
SCHEMBL5684114 0.78 LTA4H (0.65) LTA4HCYP2D6
SCHEMBL8020078 0.78 LTA4H (0.65) LTA4HHRH3RAB9ASMN1; SMN2NPSR1
SCHEMBL8029920 0.78 LTA4H (0.65) LTA4HHRH3POLBSIGMAR1
SCHEMBL11459450 0.78 LTA4H (0.61) LTA4HHRH3TSHRRAB9AHSD17B10

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