SCHEMBL5795211

SCHEMBL5795211

[O]c1ccc(-c2ccc3ccn(Cc4ccccc4)c3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.72
BRD4 O60885 3/20 0.60
APP P05067 4/20 0.49
SNCA P37840 3/20 0.49
BACE1 P56817 2/20 0.47
SERPINE1 P05121 1/20 0.44
HTR1D P28221 1/20 0.44
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL4943923 0.91 HTR6 (0.81) HTR6BRD4APPSNCABACE1
SCHEMBL5792694 0.91 HTR6 (0.81) HTR6BRD4APPSNCABACE1
SCHEMBL5795212 0.85 HTR6 (0.72) HTR6BRD4APPSNCABACE1
SCHEMBL4941461 0.82 HTR6 (0.71) HTR6BRD4APPSNCABACE1
SCHEMBL4942907 0.81 HTR6 (0.67) HTR6BRD4APPSNCABACE1
SCHEMBL3862992 0.79 HTR6 (0.63) HTR6BRD4APPSNCASERPINE1
SCHEMBL5795018 0.78 HTR6 (0.62) HTR6BRD4APPSNCANPC1
SCHEMBL4942869 0.78 HTR6 (0.62) HTR6BRD4APPSNCANPC1
SCHEMBL4264252 0.77 HTR6 (0.57) HTR6BRD4APPSNCABACE1
SCHEMBL4260047 0.77 HTR6 (0.57) HTR6BRD4APPSNCABACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525329-A 2006-11-09 JP claimed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed