SCHEMBL7969204

SCHEMBL7969204

C[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.44
STS P08842 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7969208 1.00 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL15271240 0.85 GPR119 (0.44) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL15289827 0.85 GPR119 (0.44) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL26134495 0.84 ALDH1A1 (0.47) HDAC1HDAC6TP53KMT2AALDH1A1
SCHEMBL8572892 0.82 KLK7 (0.43) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL8572897 0.82 KLK7 (0.43) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL10841922 0.81 HDAC1 (0.41) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL28546762 0.81 GPR119 (0.43) CACNA1GCACNA1HCACNA1IHDAC1HDAC6
SCHEMBL22536521 0.81 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL29277630 0.81 CACNA1G (0.49) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1

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