SCHEMBL7950672

SCHEMBL7950672

CC(=O)C(O)C(N)Cc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
MAOB P27338 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
POLB P06746 2/20 0.41
IDO1 P14902 2/20 0.41
CTBP2 P56545 1/20 0.41
SLC7A5 Q01650 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.39
GRIA2 P42262 1/20 0.39

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
SCHEMBL27481126 0.84 NOS1 (0.44) LAP3ANPEPRNPEPDNPEPNOS3
SCHEMBL19943581 0.83 NOS3 (0.49) TAAR1MAOBNOS3NOS1NOS2
SCHEMBL7961908 0.83 SLC1A1 (0.55) TAAR1LAP3ANPEPRNPEPDNPEP
SCHEMBL7951057 0.83 PNMT (0.58) TAAR1LAP3ANPEPRNPEPDNPEP
SCHEMBL6321788 0.82 ALPI (0.58) TAAR1LAP3ANPEPRNPEPDNPEP
SCHEMBL7959353 0.82 ALPI (0.58) TAAR1LAP3ANPEPRNPEPDNPEP
SCHEMBL21581223 0.79 MAOB (0.42) TAAR1MAOBPOLBIDO1CTBP2
SCHEMBL42907 0.79 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5KDM4E
SCHEMBL1795728 0.79 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5KDM4E
SCHEMBL14431748 0.79 NOS3 (0.51) TAAR1MAOBNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed