SCHEMBL8664655

SCHEMBL8664655

CC(C)CCCNc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL8666664 0.95 CYP1A2 (0.33) CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL8667048 0.89 CYP1A2 (0.41) CYP1A2CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL2328585 0.80 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL1414746 0.79 KCNH3 (0.42) ALDH1A1HTTLMNAMAPTNPC1
SCHEMBL1666989 0.78 IDO1 (0.40) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5612995 0.77 LMNA (0.42) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL1974600 0.77 LMNA (0.42) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL6197725 0.77 LMNA (0.42) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL6131239 0.77 LMNA (0.42) ALDH1A1MEN1HTTKMT2ALMNA
SCHEMBL6131249 0.77 LMNA (0.42) ALDH1A1MEN1HTTKMT2ALMNA

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed