SCHEMBL9530330

SCHEMBL9530330

COC(=O)C(N)CC1(Cc2ccccc2)C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 2/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL9530336 1.00 LTA4H (0.39) LTA4HMAPTL3MBTL1ANPEPATM
SCHEMBL7110744 0.72 MAOA (0.40)
SCHEMBL29440588 0.68 LTA4H (0.31) LTA4H
Phenylalanine Methyl Ester SCHEMBL186022 0.68 SLC7A5 (0.63) LTA4HANPEPATMCYP2C19MEN1
Phenylalanine Methyl Ester SCHEMBL74887 0.68 SLC7A5 (0.63) LTA4HANPEPATMCYP2C19MEN1
Phenylalanine Methyl Ester SCHEMBL74888 0.68 SLC7A5 (0.63) LTA4HANPEPATMCYP2C19MEN1
Phenylalanine Methyl Ester SCHEMBL27880854 0.68 SLC7A5 (0.63) LTA4HANPEPATMCYP2C19MEN1
SCHEMBL25522005 0.68 LTA4H (0.56) LTA4HATM
Phenylalanine Methyl Ester SCHEMBL2728392 0.67 SLC7A5 (0.61) LTA4HANPEPATMCYP2C19MEN1
Phenylalanine Methyl Ester SCHEMBL2237414 0.67 SLC7A5 (0.61) LTA4HANPEPATMCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
US-5183810-A Hyptoensive agents MERCK & CO., INC. (US) 1993-02-02 US disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed