SCHEMBL7973779

SCHEMBL7973779

CN(C)CCCNc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
MAOA P21397 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
ADORA2A P29274 1/20 0.58
ADRA1A P35348 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 1/20 0.58
HTR2B P41595 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54

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
SCHEMBL11507064 0.85 MAPT (0.57) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL27668932 0.85 MAPT (0.57) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL29566643 0.81 MAPT (0.60) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL308233 0.81 MAPT (0.60) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL3631214 0.81 MAPT (0.60) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL738697 0.81 MAPT (0.54) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL5028697 0.81 MAPT (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL7973853 0.77 KAT2B (0.66) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL9514664 0.77 CHRM2 (0.51) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL3875390 0.76 NPC1 (0.47) CHRM2CHRM1DRD2ADRA2BADRA2C

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-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed