SCHEMBL4750498

SCHEMBL4750498

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.34
HTR1A P08908 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.32
HTR2A P28223 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32
HBB P68871 1/20 0.32
MAPT P10636 2/20 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
SCHEMBL4750795 0.96 FFAR4 (0.36) FFAR4KMT2ANPC1HTR1AALDH1A1
SCHEMBL4750793 0.92 NPC1 (0.36) FFAR4KMT2ANPC1HTR1AALDH1A1
SCHEMBL4750508 0.88 FFAR4 (0.36) FFAR4KMT2ANPC1HTR1AALDH1A1
SCHEMBL5781658 0.83 KMT2A (0.36) KMT2ANPC1ALDH1A1LMNAPOLB
SCHEMBL2328393 0.78 KMT2A (0.39) KMT2ANPC1ALDH1A1LMNAHTR2A
SCHEMBL4750821 0.77 ALDH1A1 (0.39) KMT2ANPC1ALDH1A1LMNAPOLB
SCHEMBL4750825 0.77 ALDH1A1 (0.40) FFAR4KMT2ANPC1ALDH1A1LMNA
SCHEMBL6730228 0.75 NPC1 (0.54) KMT2ANPC1HTR1AALDH1A1LMNA
SCHEMBL4815180 0.74 HTR7 (0.38) KMT2AHTR1AALDH1A1MEN1
SCHEMBL4750865 0.74 HTR1A (0.48) KMT2AHTR1AALDH1A1LMNAHTR2A

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