SCHEMBL7345749

SCHEMBL7345749

CCN1CC([N+](=O)[O-])CN1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
GRM2 Q14416 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD4 P21917 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL7026619 0.96 CMA1 (0.46) CMA1KCNJ1KCNH2GSK3AGSK3B
SCHEMBL7343149 0.78 SIGMAR1 (0.45) CMA1GSK3AGSK3BGRM2SIGMAR1
SCHEMBL7345064 0.78 SIGMAR1 (0.51) SIGMAR1DRD4MAPTKDM4EALDH1A1
SCHEMBL7336969 0.76 TSHR (0.33)
SCHEMBL7106540 0.76 CMA1 (0.41) CMA1KCNJ1KCNH2GSK3AGSK3B
SCHEMBL7337875 0.76 APLNR (0.47) MAPTKDM4EALDH1A1
SCHEMBL7343232 0.76 BCHE (0.42) CMA1SIGMAR1MAPTKDM4EALDH1A1
SCHEMBL7339502 0.73 KDM4E (0.46) KDM4EALDH1A1ALOX15
SCHEMBL7025144 0.72 SIGMAR1 (0.49) CMA1GSK3AGSK3BGRM2SIGMAR1
SCHEMBL16136778 0.71 CMA1 (0.47) CMA1KCNJ1KCNH2GSK3AGSK3B

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