SCHEMBL4754289

SCHEMBL4754289

CC1(C)Cc2cc(N)cc(OCCCO)c2O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
NPC1 O15118 1/20 0.37
DHFR P00374 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL4753309 0.93 NPC1 (0.37) FFAR4NPC1DHFRALDH1A1LMNA
SCHEMBL28978441 0.86 DHFR (0.40) NPC1DHFRALDH1A1LMNAKMT2A
SCHEMBL28493074 0.84 DHFR (0.40) NPC1DHFRALDH1A1LMNAKMT2A
SCHEMBL4753358 0.84 POLB (0.42) FFAR4NPC1DHFRALDH1A1HTR2A
SCHEMBL4750889 0.83 POLB (0.42) NPC1DHFRALDH1A1LMNAKMT2A
SCHEMBL4751039 0.80 ALDH1A1 (0.45) FFAR4NPC1ALDH1A1LMNAKMT2A
SCHEMBL28496894 0.78 KMT2A (0.39) NPC1DHFRALDH1A1LMNAKMT2A
SCHEMBL30110206 0.76 MAOB (0.44) NPC1ALDH1A1KMT2AMAPT
SCHEMBL4049990 0.75 LMNA (0.45) NPC1ALDH1A1LMNAKMT2APOLB
SCHEMBL3183533 0.74 NPC1 (0.56) NPC1ALDH1A1LMNAKMT2APOLB

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