SCHEMBL7374665

SCHEMBL7374665

CC1CN(C)CC([N+](=O)[O-])CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HRH2 P25021 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.37

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
SCHEMBL27979641 0.77 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL4048121 0.77 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6741206 0.77 MAPT (0.68) MAPTPDK1PDK2PDK3PDK4
SCHEMBL7376968 0.77 MC4R (0.55) SIGMAR1BCHEACHEBACE1LMNA
SCHEMBL7379971 0.76 SIGMAR1 (0.51) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6742277 0.75 MAPT (0.66) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6742274 0.75 MAPT (0.66) MAPTPDK1PDK2PDK3PDK4
SCHEMBL7343232 0.75 BCHE (0.42) MAPTSIGMAR1BCHEACHEBACE1
SCHEMBL7338668 0.74 BCHE (0.38) MAPTBCHEACHEBACE1LMNA
SCHEMBL14930169 0.73 MC4R (0.53) MAPTSIGMAR1HRH2ACHE

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-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0358903-A2 Indazole-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed