SCHEMBL297017

SCHEMBL297017

N=C(N)NCCC[C@H](N)C(=O)OC(=O)C(Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBASH3B Q8TF42 1/20 0.61
TACR1 P25103 3/20 0.44
F11 P03951 3/20 0.42
CCKBR P32239 1/20 0.40
ERAP1 Q9NZ08 4/20 0.40
ERAP2 Q6P179 4/20 0.40
IL1RN P18510 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KLKB1 P03952 1/20 0.38
LNPEP Q9UIQ6 3/20 0.38
PPARG P37231 1/20 0.38

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
Rebamipide SCHEMBL297016 0.90 UBASH3B (0.72) UBASH3BTACR1F11CCKBRERAP1
SCHEMBL296717 0.88 UBASH3B (0.66) UBASH3BTACR1F11CCKBRERAP1
SCHEMBL16666232 0.81 UBASH3B (0.69) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL16666855 0.80 UBASH3B (0.79) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL9293778 0.80 UBASH3B (0.82) UBASH3BTACR1F11CCKBRERAP2
SCHEMBL16666555 0.78 UBASH3B (0.76) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL16666789 0.78 UBASH3B (0.73) UBASH3BTACR1F11KDM4EALDH1A1
Rebamipide SCHEMBL16667091 0.78 UBASH3B (0.78) UBASH3BTACR1F11CCKBRERAP1
Rebamipide SCHEMBL296716 0.78 UBASH3B (0.78) UBASH3BTACR1F11CCKBRERAP1
SCHEMBL16666431 0.77 UBASH3B (0.75) UBASH3BTACR1F11CCKBRKDM4E

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
EP-2253619-B1 Amine salt of carbostyril derivative OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
EP-2253619-A1 Amine salt of carbostyril derivative Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-24 EP disclosed