SCHEMBL4753358

SCHEMBL4753358

CN(C)CCCOc1cc(N)cc2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DHFR P00374 2/20 0.34
HTR2A P28223 1/20 0.33
HTR1B P28222 1/20 0.33
NPC1 O15118 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR1A P08908 1/20 0.32
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL4750889 0.94 POLB (0.42) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4754289 0.84 FFAR4 (0.39) POLBMAPTDHFRHTR2ANPC1
SCHEMBL28978441 0.84 DHFR (0.40) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4753309 0.83 NPC1 (0.37) POLBMAPTDHFRHTR2ANPC1
SCHEMBL28493074 0.82 DHFR (0.40) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4753173 0.81 MAPT (0.41) POLBMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL28496894 0.76 KMT2A (0.39) MAPTDHFRHTR2ANPC1ALDH1A1
SCHEMBL30110206 0.74 MAOB (0.44) MAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL4750822 0.74 CHRNB2 (0.44) POLBMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL4049990 0.70 LMNA (0.45) POLBMAPTNPC1ALDH1A1

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed