SCHEMBL4753363

SCHEMBL4753363

CC(C)(CCN)Oc1cc(N)cc2c1OC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.34
DHFR P00374 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
HTR1A P08908 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL4750906 0.90 HTR2A (0.40) HTR2ALMNADHFRALDH1A1POLB
SCHEMBL4753174 0.82 KMT2A (0.37) HTR2ALMNAALDH1A1POLBNPC1
SCHEMBL28493074 0.76 DHFR (0.40) HTR2ALMNADHFRALDH1A1POLB
SCHEMBL28496894 0.76 KMT2A (0.39) HTR2ALMNADHFRALDH1A1NPC1
SCHEMBL28978441 0.73 DHFR (0.40) HTR2ALMNADHFRALDH1A1POLB
SCHEMBL4750827 0.72 ALDH1A1 (0.38) HTR2ALMNAALDH1A1POLBNPC1
SCHEMBL4750889 0.70 POLB (0.42) HTR2ALMNADHFRALDH1A1POLB
SCHEMBL4753358 0.69 POLB (0.42) HTR2ADHFRALDH1A1POLBNPC1
SCHEMBL30110206 0.69 MAOB (0.44) ALDH1A1NPC1KMT2AMAPTRAB9A
SCHEMBL5783751 0.67 HTR2A (0.40) HTR2ALMNADHFRALDH1A1NPC1

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