SCHEMBL4750508

SCHEMBL4750508

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
HTR2A P28223 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.33
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 0.89 FFAR4 (0.36) FFAR4HTR2ANPC1ALDH1A1HTR1A
SCHEMBL4750498 0.88 FFAR4 (0.36) FFAR4HTR2ANPC1ALDH1A1HTR1A
SCHEMBL4750793 0.87 NPC1 (0.36) FFAR4HTR2ANPC1ALDH1A1HTR1A
SCHEMBL4752959 0.84 HTR2A (0.47) FFAR4HTR2ANPC1ALDH1A1HTR1A
SCHEMBL5781658 0.84 KMT2A (0.36) HTR2ANPC1ALDH1A1KMT2ALMNA
SCHEMBL2328393 0.79 KMT2A (0.39) HTR2ANPC1ALDH1A1KMT2ALMNA
SCHEMBL4751070 0.79 ALDH1A1 (0.41) FFAR4NPC1ALDH1A1KMT2ALMNA
SCHEMBL4750821 0.78 ALDH1A1 (0.39) HTR2ANPC1ALDH1A1KMT2ALMNA
SCHEMBL4750506 0.78 AKT1 (0.36) FFAR4HTR2ANPC1ALDH1A1KMT2A
SCHEMBL7963661 0.77 NPC1 (0.55) NPC1ALDH1A1HTR1AKMT2ALMNA

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