SCHEMBL9378201

SCHEMBL9378201

N#CC1CN(NC(=O)OCc2ccccc2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
PREP P48147 9/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
TACR1 P25103 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL9380300 0.81 KDM1A (0.49) CTSLCTSBCTSKPREPALDH1A1
SCHEMBL9524806 0.81 ALDH1A1 (0.44) CTSLCTSBCTSKPREPALDH1A1
SCHEMBL9525080 0.80 TSHR (0.44) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL12354977 0.79 MEN1 (0.52) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL1839110 0.79 MEN1 (0.52) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL30135758 0.77 ALDH1A1 (0.47) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL9377370 0.77 LIPE (0.48) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL27522365 0.76 TSHR (0.45) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL6135645 0.76 TSHR (0.47) CTSLCTSBCTSKALDH1A1GAA
SCHEMBL9381194 0.74 CTSL (0.53) CTSLCTSBCTSKPREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562042-A4 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0562042-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1993-09-29 EP disclosed
US-5137892-A Bactericides ABBOTT LABORATORIES (US) 1992-08-11 US disclosed
WO-1992010191-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1992-06-25 WO disclosed