SCHEMBL7956433

SCHEMBL7956433

FC(F)(F)c1ccc(N2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
SMO Q99835 1/20 0.60
KDM4E B2RXH2 4/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
GPR119 Q8TDV5 1/20 0.54
GAA P10253 1/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
ABL1 P00519 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
OGA O60502 1/20 0.50
AOC3 Q16853 1/20 0.49

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
SCHEMBL10563838 0.84 MAPT (0.70) MAPTSMN1; SMN2KDM4ECYP2C9CYP2C19
SCHEMBL2527454 0.81 MAPT (0.59) MAPTSMN1; SMN2SMOKDM4ECYP3A4
SCHEMBL23207522 0.80 KDM4E (0.62) MAPTSMN1; SMN2KDM4ECYP3A4CYP2C9
SCHEMBL6793180 0.80 MAPT (0.65) MAPTSMN1; SMN2KDM4ECYP2C9CYP2C19
SCHEMBL29959269 0.80 MAPT (0.62) MAPTSMN1; SMN2KDM4ECYP3A4CYP2C9
SCHEMBL8082196 0.80 SMN1; SMN2 (0.62) MAPTSMN1; SMN2SMOKDM4ECYP2C9
SCHEMBL23839530 0.79 MAPT (0.57) MAPTSMN1; SMN2SMOKDM4ECYP2C9
SCHEMBL23839528 0.79 SMN1; SMN2 (0.54) MAPTSMN1; SMN2SMOKDM4ECYP3A4
SCHEMBL2734322 0.79 SMN1; SMN2 (0.79) MAPTSMN1; SMN2KDM4ECYP2C9CYP2C19
SCHEMBL30582921 0.79 KDM4E (0.60) MAPTSMN1; SMN2KDM4ECYP3A4CYP2C9

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed