SCHEMBL27363440

SCHEMBL27363440

CC(C)CC(N)(O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
PNMT P11086 1/20 0.42
CYP19A1 P11511 2/20 0.41
KIF11 P52732 5/20 0.40
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
AOC3 Q16853 1/20 0.36
PGR P06401 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9015877 0.81 SCN5A (0.49) SCN5ASCN9APNMTCYP19A1KIF11
SCHEMBL10643134 0.80 SCN5A (0.44) SCN5ASCN9APNMTKIF11PKM
SCHEMBL19731492 0.79 CYP19A1 (0.45) SCN5ASCN9APNMTCYP19A1KIF11
SCHEMBL6074031 0.74 CYP19A1 (0.47) SCN5ASCN9ACYP19A1KIF11CHRM3
Hydrochloric Acid SCHEMBL27601929 0.73 CYP19A1 (0.46) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL9644418 0.72 TDP1 (0.47) CYP19A1PKMTSHRRECQLPGR
SCHEMBL3356661 0.71 ALDH1A1 (0.50) SCN5ASCN9APNMTCYP19A1KIF11
SCHEMBL4968001 0.70 SLC6A2 (0.44) SCN5ASCN9APNMTCYP19A1KIF11
SCHEMBL1155523 0.70 CYP19A1 (0.50) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL4294497 0.70 CYP19A1 (0.50) SCN5ASCN9ACYP19A1KIF11CHRM3

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
CN-1073428-A Aromatic amino alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic use SANKYO CO (JP) 1993-06-23 CN disclosed