SCHEMBL7338668

SCHEMBL7338668

CN1CC([N+](=O)[O-])CN1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
BACE1 P56817 4/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MC4R P32245 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7343232 0.89 BCHE (0.42) BCHEACHEBACE1MAPTHTT
SCHEMBL7339968 0.86 ACHE (0.39) BCHEACHEBACE1MAPTHTT
SCHEMBL7345418 0.77
SCHEMBL7376968 0.75 MC4R (0.55) BCHEACHEBACE1MC4RLMNA
SCHEMBL7374665 0.74 MAPT (0.46) BCHEACHEBACE1MAPTHTT
SCHEMBL7343513 0.74 FUCA1 (0.49) ACHEMAPTALDH1A1MC4RMEN1
SCHEMBL7026619 0.73 CMA1 (0.46) MAPTKDM4EALDH1A1
SCHEMBL7336258 0.72 MC4R (0.42) ACHEMAPTKDM4EMC4RLMNA
SCHEMBL10126281 0.71 ACHE (0.54) BCHEACHEBACE1ALDH1A1CYP2D6
SCHEMBL31288959 0.67 MC4R (0.50) ACHEALDH1A1MC4RLMNAKMT2A

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
US-4358599-A Synthesis of 4-amino-1,2-hydrocarbyl pyrazolidines via 4-nitro analogs A. H. ROBINS COMPANY, INC. (US) 1982-11-09 US disclosed
US-4309552-A Synthesis of 4-nitro-1,2-hydrocarbyl pyrazolidines and process for preparation thereof A. H. ROBINS COMPANY, INC. (US) 1982-01-05 US disclosed