SCHEMBL7972579

SCHEMBL7972579

O=CC(=O)C1CNCCN1NC(=O)c1ccc(F)cc1.c1cc2ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
PTPN1 P18031 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAOB P27338 1/20 0.35
GPR6 P46095 1/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM4 P08173 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7972856 0.83 CYP2D6 (0.39) CYP2D6PTPN1CD274FPR2SCN9A
SCHEMBL8419841 0.82 CYP2D6 (0.47) CYP2D6GPR6POLB
Water SCHEMBL7778613 0.81 CYP2D6 (0.46) CYP2D6GPR6POLB
SCHEMBL7972859 0.74 HSD11B1 (0.49) CYP2D6
SCHEMBL28752750 0.73 MAOB (0.40) FPR2SCN9AMAOB
SCHEMBL7972582 0.72 MAPT (0.43) CYP2D6
SCHEMBL1721295 0.69 CYP2D6 (0.67) CYP2D6MAOBGPR6POLB
Bromide SCHEMBL7777483 0.68 CYP2D6 (0.65) CYP2D6MAOBGPR6POLB
SCHEMBL28624849 0.64 HTT (0.45)
Bromide SCHEMBL7972483 0.64 CYP2D6 (0.58) CYP2D6MAOBGPR6POLB

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 1 patent. 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