SCHEMBL9501464

SCHEMBL9501464

Cc1c(CNCCCN2CCN(C(=O)CCO[N+](=O)[O-])CC2)cccc1OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTR1A P08908 4/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 4/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1I Q9P0X4 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
HTR7 P34969 3/20 0.33

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
SCHEMBL9502756 0.78 SLC2A1 (0.40) BCHEACHEMEN1KMT2AKDM4E
SCHEMBL9502824 0.76 BCHE (0.41) BCHEACHEALDH1A1CACNA1GCD274
SCHEMBL9502183 0.74 TP53 (0.47) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL10518196 0.73 BCHE (0.38) BCHEACHEALDH1A1LMNACD274
SCHEMBL9501109 0.71 TSHR (0.45) BCHEACHEALDH1A1KDM4ELMNA
SCHEMBL9504108 0.71 TP53 (0.44) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL9501482 0.70 POLB (0.39) BCHEACHEHTR1AMEN1KMT2A
SCHEMBL9501470 0.66 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9501166 0.66 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL10516652 0.62 ALDH1A1 (0.38) SIGMAR1ALDH1A1KDM4ELMNATDP1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed