SCHEMBL7975329

SCHEMBL7975329

CC(=O)N1CCN(NC(=O)c2ccc(F)cc2)C(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
ALOX5 P09917 1/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GHSR Q92847 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7975326 1.00 CYP2D6 (0.48) CYP2D6CCNA2CDK2CCNA1ALOX5
SCHEMBL194951 0.77 CYP2D6 (0.72) CYP2D6CCNA2CDK2CCNA1ALOX5
Water SCHEMBL3089403 0.76 CYP2D6 (0.70) CYP2D6CCNA2CDK2CCNA1ALOX5
SCHEMBL7975173 0.73 CYP2D6 (0.65) CYP2D6CCNA2CDK2CCNA1ALOX5
Fk-962 SCHEMBL239762 0.70 KMT2A (0.69) KMT2ACTSBCTSSCTSKCTSC
SCHEMBL7848596 0.69 POLB (0.62) KMT2AALDH1A1POLBMEN1CA12
SCHEMBL8419841 0.68 CYP2D6 (0.47) CYP2D6ALOX5KMT2AALDH1A1HPGD
Water SCHEMBL7778613 0.67 CYP2D6 (0.46) CYP2D6ALOX5KMT2AALDH1A1HPGD
SCHEMBL3711592 0.66 GHSR (0.58) HPGDPOLBGHSR
SCHEMBL10800533 0.66 HSD11B1 (0.46) KMT2AALDH1A1POLBCYP2C19

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