SCHEMBL4750889

SCHEMBL4750889

CN(C)CCOc1cc(N)cc2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ROCK2 O75116 1/20 0.36
DHFR P00374 2/20 0.35
HTR2A P28223 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTR7 P34969 1/20 0.33
HTR1A P08908 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 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
SCHEMBL4753358 0.94 POLB (0.42) POLBMAPTROCK2DHFRHTR2A
SCHEMBL28978441 0.85 DHFR (0.40) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4753309 0.84 NPC1 (0.37) POLBMAPTDHFRHTR2ANPC1
SCHEMBL28493074 0.83 DHFR (0.40) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4754289 0.83 FFAR4 (0.39) POLBMAPTDHFRHTR2ANPC1
SCHEMBL4750822 0.80 CHRNB2 (0.44) POLBMAPTNPC1KDM4EALDH1A1
SCHEMBL28496894 0.77 KMT2A (0.39) MAPTDHFRHTR2ANPC1KDM4E
SCHEMBL8550551 0.76 HTR1B (0.41) MAPTROCK2HTR2AKDM4EHTR7
SCHEMBL30110206 0.75 MAOB (0.44) MAPTNPC1ALDH1A1KMT2A
SCHEMBL4753173 0.74 MAPT (0.41) POLBMAPTNPC1KDM4EALDH1A1

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