SCHEMBL7850372

SCHEMBL7850372

CCOC(=O)C(=CNC(C)CO)C(=O)c1cnc(Cl)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 5/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 5/20 0.34
ALDH1A1 P00352 3/20 0.34
DHODH Q02127 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL8695480 0.86 NPSR1 (0.43) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL7850181 0.82 NPSR1 (0.45) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL8694235 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL7841742 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL7841807 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL8694662 0.79 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL8693549 0.78 NPSR1 (0.42) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL8693545 0.77 NPSR1 (0.41) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL7849855 0.77 NPSR1 (0.41) NPSR1MAPTCYP2D6CYP3A4CYP1A2
SCHEMBL7849686 0.76 NPSR1 (0.40) NPSR1MAPTCYP2D6CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed