SCHEMBL7008994

SCHEMBL7008994

CC(C)[C@H](N)C(=O)NC1C[N]C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
FAP Q12884 1/20 0.40
ARG1 P05089 7/20 0.39
ARG2 P78540 4/20 0.39
SLC7A5 Q01650 1/20 0.37
XIAP P98170 1/20 0.36
SMYD3 Q9H7B4 1/20 0.33
MELK Q14680 2/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL7008989 1.00 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL7010390 0.87 ARG1 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL7010395 0.87 ARG1 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL7006848 0.84 DPP4 (0.36) DPP4ARG1ARG2XIAPSMYD3
SCHEMBL7006846 0.84 DPP4 (0.36) DPP4ARG1ARG2XIAPSMYD3
SCHEMBL28661580 0.82 SMYD3 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL15054947 0.82 SMYD3 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL5967831 0.82 SMYD3 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL9032520 0.79 ARG1 (0.37) DPP4DPP8DPP9DPP7FAP
SCHEMBL25069101 0.78 EPHX1 (0.43) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed