SCHEMBL7843231

SCHEMBL7843231

O=C(Cn1c(COc2ccc(OC3CCNCC3)cc2)nc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 5/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
CTSD P07339 2/20 0.47
F10 P00742 3/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL6191893 0.87 F10 (0.63) F10
Hydrochloric Acid SCHEMBL6189019 0.86 F10 (0.64) F10
SCHEMBL6188563 0.75 F10 (0.80) F10
Hydrochloric Acid SCHEMBL6190383 0.74 F10 (0.81) F10
SCHEMBL7728629 0.68 HRH1 (0.72) MAPTLMNA
SCHEMBL7689701 0.68 NPY1R (1.00) NPY1R
Hydrochloric Acid SCHEMBL2191871 0.67 HRH1 (0.70) MAPTLMNA
SCHEMBL15082872 0.67 MAPT (0.76) MEN1KMT2AMAPTTP53TSHR
SCHEMBL30992173 0.66 KDM4E (0.76) MEN1KMT2AALDH1A1CTSDHTT
SCHEMBL28548582 0.66 KDM4E (0.76) MEN1KMT2AALDH1A1CTSDHTT

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-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP disclosed