SCHEMBL7972302

SCHEMBL7972302

CC(=O)Nc1ccc(C(=O)NN2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 5/20 0.54
CYP2C19 P33261 2/20 0.54
HPGD P15428 2/20 0.54
CYP2C9 P11712 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CYP2D6 P10635 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
HIF1A Q16665 1/20 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
SCHEMBL7975284 0.84 EPHX2 (0.60) MAPTMEN1KMT2ACYP2C19CYP2D6
SCHEMBL8018069 0.83 CYP2D6 (0.53) MAPTKMT2AALDH1A1CYP2C19HPGD
SCHEMBL7972839 0.83 CYP2D6 (0.53) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL194951 0.82 CYP2D6 (0.72) MAPTALDH1A1CYP2C19HPGDCYP2C9
SCHEMBL14590778 0.81 HTT (0.65) MAPTKMT2ACYP2C19CYP2C9RAB9A
SCHEMBL7968909 0.81 CYP2D6 (0.50) MAPTALDH1A1CYP2C19HPGDCYP2C9
Water SCHEMBL3089403 0.81 CYP2D6 (0.70) MAPTALDH1A1CYP2C19HPGDCYP2C9
SCHEMBL7970177 0.79 PLK1 (0.50) MAPTMEN1KMT2AALDH1A1CYP2C19
SCHEMBL7972482 0.79 CYP2D6 (0.49) MAPTALDH1A1HPGDCYP2D6HTT
SCHEMBL7972123 0.79 CYP2D6 (0.52) MAPTMEN1KMT2AHPGDUSP2

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