SCHEMBL7975173

SCHEMBL7975173

CC(=O)N1CCCN(NC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.65
ALOX5 P09917 1/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL194951 0.94 CYP2D6 (0.72) CYP2D6ALOX5HTTCYP2C9CYP2C19
Water SCHEMBL3089403 0.93 CYP2D6 (0.70) CYP2D6ALOX5HTTCYP2C9CYP2C19
SCHEMBL8018069 0.81 CYP2D6 (0.53) CYP2D6HTTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL7972839 0.81 CYP2D6 (0.53) CYP2D6HTTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL7972123 0.80 CYP2D6 (0.52) CYP2D6HTTSMN1; SMN2MAPT
SCHEMBL14590778 0.79 HTT (0.65) CYP2D6HTTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL7968909 0.78 CYP2D6 (0.50) CYP2D6HTTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9191980 0.78 CYP2D6 (0.75) CYP2D6CYP2C9CYP2C19CCNA2CDK2
SCHEMBL14817973 0.78 CYP2D6 (0.65) CYP2D6HTTPOLBGAA
SCHEMBL7972482 0.77 CYP2D6 (0.49) CYP2D6HTTPOLBMAPT

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