SCHEMBL296717

SCHEMBL296717

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBASH3B Q8TF42 1/20 0.66
TACR1 P25103 3/20 0.47
F11 P03951 2/20 0.43
CCKBR P32239 1/20 0.42
ERAP1 Q9NZ08 7/20 0.42
ERAP2 Q6P179 7/20 0.42
IL1RN P18510 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
LNPEP Q9UIQ6 6/20 0.42
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
Rebamipide SCHEMBL296716 0.89 UBASH3B (0.78) UBASH3BTACR1F11CCKBRERAP1
Rebamipide SCHEMBL16667091 0.89 UBASH3B (0.78) UBASH3BTACR1F11CCKBRERAP1
SCHEMBL297017 0.88 UBASH3B (0.61) UBASH3BTACR1F11CCKBRERAP1
SCHEMBL16666855 0.83 UBASH3B (0.79) UBASH3BTACR1F11CCKBRKDM4E
Rebamipide SCHEMBL2866138 0.82 UBASH3B (0.92) UBASH3BTACR1F11CCKBRERAP2
SCHEMBL16666555 0.81 UBASH3B (0.76) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL9293778 0.81 UBASH3B (0.82) UBASH3BTACR1F11CCKBRERAP2
SCHEMBL17268610 0.81 UBASH3B (0.75) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL16666431 0.81 UBASH3B (0.75) UBASH3BTACR1F11CCKBRKDM4E
SCHEMBL16666509 0.80 UBASH3B (0.71) 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