SCHEMBL5210771

SCHEMBL5210771

FC(F)(F)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
KDM4E B2RXH2 1/20 0.53
ABL1 P00519 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 2/20 0.49
GPR119 Q8TDV5 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
DGAT1 O75907 1/20 0.45
ADORA2A P29274 1/20 0.45
KCNH2 Q12809 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL5210894 0.99 HRH3 (0.54) HRH3KDM4EABL1LMNACYP3A4
SCHEMBL3967944 0.86 KDM4E (0.58) HRH3KDM4EABL1LMNACYP3A4
SCHEMBL27728031 0.84 KDM4E (0.56) HRH3KDM4EABL1LMNACYP3A4
Hydrochloric Acid SCHEMBL27620712 0.82 HRH3 (0.61) HRH3KDM4EABL1LMNACYP3A4
SCHEMBL5208071 0.81 HRH3 (0.45) HRH3
SCHEMBL4936071 0.81 KDM4E (0.51) HRH3KDM4EABL1LMNACYP3A4
SCHEMBL5212275 0.81 HRH3 (0.70) HRH3KDM4EABL1LMNACYP3A4
Hydrochloric Acid SCHEMBL5210095 0.81 HRH3 (0.44) HRH3
SCHEMBL3860897 0.80 KDM4E (0.65) HRH3KDM4EABL1LMNACYP2C9
Hydrochloric Acid SCHEMBL5216496 0.80 HRH3 (0.69) HRH3KDM4EABL1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed