SCHEMBL11035863

SCHEMBL11035863

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
KCNH2 Q12809 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 2/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
MAOB P27338 1/20 0.46
MET P08581 1/20 0.46

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
SCHEMBL10981812 0.84 MEN1 (0.59) MEN1KMT2AALDH1A1POLBNPSR1
SCHEMBL10984399 0.83 LMNA (0.58) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL10986970 0.79 KMT2A (0.55) MEN1KMT2AALDH1A1POLBKCNH2
Hydrochloric Acid SCHEMBL7265511 0.78 KMT2A (0.54) MEN1KMT2AALDH1A1POLBKCNH2
SCHEMBL13627523 0.74 KMT2A (0.54) MEN1KMT2AALDH1A1KCNH2MAOB
SCHEMBL3674806 0.74 MAOB (0.62) MEN1KMT2ALMNAMAOB
SCHEMBL10986157 0.73 KMT2A (0.71) MEN1KMT2APOLBNPSR1LMNA
SCHEMBL7271600 0.73 KMT2A (0.54) MEN1KMT2AALDH1A1POLBKCNH2
SCHEMBL4473413 0.72 MAOB (0.61) MEN1KMT2ALMNAMAOB
SCHEMBL28256912 0.72 MAOB (0.65) MEN1KMT2AALDH1A1MAOB

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
US-4528194-A 2-(4-Diphenylmethylpiperazinyl)-1-phenyl alkanol or their salts, a process for their production and a cerebral circulation-improving drug NIPPON CHEMIPHAR CO., LTD. (JP) 1985-07-09 US disclosed