SCHEMBL7864698

SCHEMBL7864698

CC1(C)COC(c2cc(B(O)O)cc(C(F)(F)F)c2)=N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MGLL Q99685 2/20 0.36
HRH3 Q9Y5N1 3/20 0.33
IL2 P60568 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5375324 0.81 LMNA (0.36) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5363532 0.80 LMNA (0.40) LMNAMAPTHTTKDM4EHRH3
SCHEMBL5378874 0.76 KIF11 (0.42) LMNAMAPTHTTKDM4EHRH3
SCHEMBL2557980 0.75 HRH3 (0.40) LMNAMAPTHTTKDM4EHRH3
SCHEMBL1621903 0.75 KDM4E (0.50) LMNAMAPTHTTKDM4EMGLL
SCHEMBL5583063 0.74 KDM4E (0.47) LMNAMAPTHTTKDM4EMGLL
SCHEMBL954192 0.74 LMNA (0.48) LMNAMAPTHTTKDM4EHRH3
SCHEMBL422974 0.73 KDM4E (0.42) LMNAMAPTHTTKDM4EHRH3
SCHEMBL4462971 0.73 KDM4E (0.55) LMNAMAPTHTTKDM4EHRH3
SCHEMBL14351661 0.72 KDM4E (0.45) LMNAMAPTHTTKDM4EHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed