SCHEMBL9133019

SCHEMBL9133019

CN(C)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
HPGD P15428 3/20 0.49
NR4A1 P22736 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 3/20 0.46

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
SCHEMBL5692310 0.83 ALDH1A1 (0.44) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL11647077 0.82 SYK (0.38) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL11309181 0.81 RAB9A (0.60) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL11650930 0.81 MEN1 (0.41) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL1039232 0.79 ALDH1A1 (0.54) MAPTHDAC4HDAC6ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1039218 0.79 ALDH1A1 (0.54) MAPTHDAC4HDAC6ALDH1A1L3MBTL1
SCHEMBL28800706 0.79 HDAC3 (0.57) MAPTHPGDNR4A1HDAC3HDAC4
SCHEMBL28737954 0.79 ALDH1A1 (0.65) MAPTHPGDNR4A1RAB9ANPC1
SCHEMBL10184215 0.78 FTO (0.50) MAPTHPGDRAB9ANPC1ALDH1A1
SCHEMBL498570 0.78 ALDH1A1 (0.54) MAPTHPGDRAB9ANPC1ALDH1A1

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
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed