SCHEMBL7975284

SCHEMBL7975284

CC(=O)Nc1ccc(C(=O)N2CCN(NC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.51
PTPN1 P18031 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
S1PR2 O95136 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47

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
SCHEMBL14817973 0.84 CYP2D6 (0.65) EPHX2CYP2D6HTTKMT2ALMNA
SCHEMBL7972302 0.84 MAPT (0.60) CYP2D6CYP2C19HTTMEN1KMT2A
SCHEMBL7970388 0.83 CYP2D6 (0.62) EPHX2CYP2D6MEN1KMT2ACA12
SCHEMBL9185373 0.83 CYP2D6 (0.62) CYP2D6HTTMEN1KMT2ACA12
SCHEMBL7975189 0.83 CYP2D6 (0.62) EPHX2CYP2D6MEN1KMT2ACA12
SCHEMBL7969951 0.82 CYP2D6 (0.62) EPHX2CYP2D6HTTMEN1KMT2A
SCHEMBL7970184 0.82 CYP2D6 (0.61) EPHX2CYP2D6CA12CA1CA2
SCHEMBL194951 0.81 CYP2D6 (0.72) CYP2D6CYP2C19HTTMAPT
SCHEMBL7972620 0.81 CYP2D6 (0.60) EPHX2CYP2D6MEN1KMT2AS1PR2
SCHEMBL7970528 0.81 CYP2D6 (0.60) CYP2D6HTTTSHRMEN1KMT2A

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