SCHEMBL7006798

SCHEMBL7006798

CC(=O)C(CCC(N)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
KIF11 P52732 7/20 0.47
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
LTA4H P09960 1/20 0.45
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12824732 0.80 HRH1 (0.52) CYP2C19EPHX1
SCHEMBL13619700 0.80 POLB (0.51) CYP2C19EPHX1POLB
SCHEMBL5325671 0.79 KIF11 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8893618 0.79 KIF11 (0.44) SLC7A5KIF11GRM2GRM3LTA4H
SCHEMBL4441244 0.78 TRPA1 (0.47) CYP2C19EPHX1POLB
SCHEMBL13385031 0.78 CYP2C19 (0.49) CYP2C19EPHX1POLB
SCHEMBL28343157 0.78 KIF11 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28557313 0.77 EPHX1 (0.47) PKMCYP2C19EPHX1KMT2A
SCHEMBL8903384 0.77 ALDH1A1 (0.46) CYP2C19EPHX1POLB
SCHEMBL5610660 0.77 HPGD (0.47) CYP2C19EPHX1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1997036873-A1 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1997-10-09 WO disclosed