SCHEMBL7972839

SCHEMBL7972839

CC(=O)N1CCN(NC(=O)c2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL8018069 0.87 CYP2D6 (0.53) CYP2D6ALDH1A1MAPTKMT2AHTT
SCHEMBL194951 0.86 CYP2D6 (0.72) CYP2D6ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL14590778 0.85 HTT (0.65) CYP2D6MAPTKMT2AHTTSMN1; SMN2
SCHEMBL7968909 0.84 CYP2D6 (0.50) CYP2D6ALDH1A1MAPTHTTSMN1; SMN2
Water SCHEMBL3089403 0.84 CYP2D6 (0.70) CYP2D6ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7972123 0.83 CYP2D6 (0.52) CYP2D6MAPTMEN1KMT2AHTT
SCHEMBL7975155 0.83 HPGD (0.50) CYP2D6ALDH1A1MAPTKMT2AHTT
SCHEMBL7970177 0.83 PLK1 (0.50) CYP2D6ALDH1A1MAPTMEN1KMT2A
SCHEMBL7972482 0.83 CYP2D6 (0.49) CYP2D6ALDH1A1MAPTHTTHPGD
SCHEMBL7972302 0.83 MAPT (0.60) CYP2D6ALDH1A1MAPTMEN1KMT2A

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
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed