SCHEMBL22293305

SCHEMBL22293305

Cc1ccc(CN(CCC2CCCCC2)c2nc(C=O)c(C)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCHR1 Q99705 3/20 0.32
BCHE P06276 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
ACHE P22303 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL22293302 0.92 NR1D1 (0.37) CNR2RAB9ANPC1ALDH1A1
SCHEMBL22293268 0.90 KDM4E (0.36) KDM4EALDH1A1BCHEACHEPPARD
SCHEMBL22293282 0.82 HPGD (0.35) BCHE
SCHEMBL22292917 0.81 ALDH1A1 (0.36) RAB9ANPC1KDM4EALDH1A1ACHE
SCHEMBL22293291 0.80 KDM4E (0.37) CNR1CNR2RAB9ANPC1KDM4E
SCHEMBL22293070 0.74 BCHE (0.37) CNR2BCHEHRH3
SCHEMBL22293080 0.73 BCHE (0.35) CNR2BCHEHRH3
SCHEMBL22293266 0.72 PPARD (0.37) CNR2NPC1KDM4EALDH1A1PPARD
SCHEMBL22293189 0.72 CYP19A1 (0.33) CNR2HRH3
SCHEMBL22293272 0.71 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed