SCHEMBL9753072

SCHEMBL9753072

NCCCC[C@H](N)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 4/20 0.62
MMP2 P08253 2/20 0.53
MMP9 P14780 1/20 0.53
LTA4H P09960 1/20 0.48
CASR P41180 1/20 0.47
GSR P00390 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
THRB P10828 1/20 0.44
TERT O14746 3/20 0.43
TARS1 P26639 1/20 0.43

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
SCHEMBL3049869 0.82 LARS1 (0.69) LARS1CASRTARS1
SCHEMBL30483895 0.81 LARS1 (0.63) LARS1MMP2MMP9CASRTARS1
SCHEMBL6248268 0.79 LARS1 (0.68) LARS1CASRTARS1
SCHEMBL12448217 0.79 LARS1 (0.73) LARS1CASRTARS1
SCHEMBL10062713 0.78 LARS1 (0.42) LARS1MMP2MMP9TERT
SCHEMBL10029341 0.78 LARS1 (0.42) LARS1MMP2MMP9CASRTERT
SCHEMBL18019131 0.77 LARS1 (1.00) LARS1TARS1
Lysine SCHEMBL16553020 0.77 GSR (0.61) MMP2MMP9LTA4HCASRGSR
SCHEMBL28173973 0.77 LARS1 (1.00) LARS1TARS1
Hydrochloric Acid SCHEMBL27943608 0.77 LARS1 (0.65) LARS1MMP2MMP9LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO claimed