SCHEMBL7975155

SCHEMBL7975155

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
CYP2D6 P10635 2/20 0.49
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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 0.83 CYP2D6 (0.53) HPGDCYP2D6HTTKMT2ANPC1
SCHEMBL7972839 0.83 CYP2D6 (0.53) HPGDCYP2D6HTTKMT2ANPC1
SCHEMBL194951 0.82 CYP2D6 (0.72) HPGDCYP2D6HTTALDH1A1GAA
SCHEMBL14590778 0.81 HTT (0.65) CYP2D6HTTKMT2ANPC1GAA
SCHEMBL7968909 0.81 CYP2D6 (0.50) HPGDCYP2D6HTTNPC1ALDH1A1
Water SCHEMBL3089403 0.81 CYP2D6 (0.70) HPGDCYP2D6HTTALDH1A1GAA
SCHEMBL7972510 0.80 ALDH1A1 (0.66) HPGDCYP2D6KMT2AALDH1A1LMNA
SCHEMBL7970177 0.79 PLK1 (0.50) HPGDCYP2D6HTTKMT2ANPC1
SCHEMBL7972123 0.79 CYP2D6 (0.52) HPGDCYP2D6HTTKMT2ASMN1; SMN2
SCHEMBL7972482 0.79 CYP2D6 (0.49) HPGDCYP2D6HTTALDH1A1HDAC1

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