SCHEMBL1911641

SCHEMBL1911641

CC(C)S(C(C)C)(C(C)C)n1ccc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR6 P50406 5/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
MAP3K14 Q99558 1/20 0.37
PRMT5 O14744 3/20 0.33
FABP4 P15090 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACLY P53396 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
SCHEMBL24339521 0.81 HTR2A (0.49) HTR7HTR2AHTR2CHTR6MEN1
SCHEMBL7252893 0.77 HTR6 (0.56) HTR7HTR6MEN1KMT2APKM
SCHEMBL8259764 0.74 HTR6 (0.40) HTR6MEN1KMT2APKMHTT
SCHEMBL21515946 0.74 HTT (0.50) HTR2AHTR2CHTR6MEN1KMT2A
SCHEMBL6741957 0.73 HTR7 (0.45) HTR7HTR2AHTR2CCDC7CDK2
SCHEMBL23125776 0.72 FABP4 (0.38) FABP4
SCHEMBL21010063 0.70 HTR2A (0.49) HTR2AHTR2CHTR6HTTL3MBTL1
SCHEMBL2573218 0.70 MEN1 (0.60) HTR6MEN1KMT2APKMHTT
SCHEMBL29408218 0.70 MEN1 (0.60) HTR6MEN1KMT2APKMHTT
SCHEMBL266519 0.70 CYP2A6 (0.53) HTR7HTR2AHTR2CL3MBTL1CDC7

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
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed