SCHEMBL4750795

SCHEMBL4750795

CC1(C)Cc2cc(Br)cc(OCCCBr)c2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 2/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
HTR2A P28223 1/20 0.33
TSHR P16473 1/20 0.32
HBB P68871 1/20 0.32
MAPT P10636 2/20 0.32
PTBP1 P26599 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 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
SCHEMBL4750498 0.96 FFAR4 (0.36) FFAR4NPC1ALDH1A1HTR1AKMT2A
SCHEMBL4750793 0.93 NPC1 (0.36) FFAR4NPC1ALDH1A1HTR1AKMT2A
SCHEMBL4750508 0.89 FFAR4 (0.36) FFAR4NPC1ALDH1A1HTR1AKMT2A
SCHEMBL5781658 0.84 KMT2A (0.36) NPC1ALDH1A1KMT2ALMNAPOLB
SCHEMBL4750821 0.81 ALDH1A1 (0.39) NPC1ALDH1A1KMT2ALMNAPOLB
SCHEMBL4750825 0.81 ALDH1A1 (0.40) FFAR4NPC1ALDH1A1KMT2ALMNA
SCHEMBL2328393 0.79 KMT2A (0.39) NPC1ALDH1A1KMT2ALMNAHTR2A
SCHEMBL6730228 0.79 NPC1 (0.54) NPC1ALDH1A1HTR1AKMT2ALMNA
SCHEMBL4750865 0.75 HTR1A (0.48) ALDH1A1HTR1AKMT2ALMNAHTR2A
Hydrochloric Acid SCHEMBL4789354 0.74 HTR1A (0.39) FFAR4ALDH1A1HTR1AKMT2ALMNA

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed