SCHEMBL475036

SCHEMBL475036

CC(C)(C)C1(c2cnc(Br)[nH]2)CCCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL23247492 0.77 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL933804 0.75 SSTR3 (0.36) HCRTR1HCRTR2
SCHEMBL1914123 0.75 KDM5A (0.31) KDM5AKDM4C
SCHEMBL17938125 0.73 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL17938124 0.73 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL1984447 0.72 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL1984448 0.72 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL1914368 0.72 JAK3 (0.33) KDM5AKDM4C
SCHEMBL15848316 0.71 SSTR3 (0.39) HCRTR1HCRTR2
SCHEMBL15848318 0.71 SSTR3 (0.39) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410844-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed