SCHEMBL7968937

SCHEMBL7968937

CC(=O)N1CCN(NC(=O)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
HTT P42858 1/20 0.64
CHRM3 P20309 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 3/20 0.51
PKM P14618 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 1/20 0.51
CCNA2 P20248 1/20 0.51

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
SCHEMBL7972593 0.80 ALDH1A1 (0.62) MAPTKMT2AMEN1POLBGAA
SCHEMBL7972839 0.76 CYP2D6 (0.53) MAPTHTTKMT2AMEN1GAA
SCHEMBL8018069 0.76 CYP2D6 (0.53) MAPTHTTKMT2AGAAALDH1A1
SCHEMBL194951 0.75 CYP2D6 (0.72) MAPTHTTGAAALDH1A1SMN1; SMN2
SCHEMBL14590778 0.74 HTT (0.65) MAPTHTTKMT2AGAANPC1
SCHEMBL7975154 0.74 HPGD (0.50) MAPTKMT2AMEN1POLBGAA
SCHEMBL5192592 0.74 KMT2A (0.70) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL108225 0.74 ALDH1A1 (0.90) KMT2APOLBGAAALDH1A1HSD17B10
SCHEMBL15979567 0.73 MAPT (0.67) MAPTHTTKMT2AMEN1GAA
SCHEMBL7968909 0.73 CYP2D6 (0.50) MAPTHTTGAAALDH1A1HSD17B10

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