SCHEMBL7787371

SCHEMBL7787371

Clc1cccc([C@]2(CBr)CO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 11/20 0.42
SLC6A4 P31645 10/20 0.42
SLC6A2 P23975 9/20 0.42
CHRNA1 P02708 7/20 0.42
CHRNB1 P11230 7/20 0.42
CHRNB2 P17787 7/20 0.42
CHRNB4 P30926 7/20 0.42
CHRNA3 P32297 7/20 0.42
CHRNA4 P43681 7/20 0.42
CHRNG P07510 5/20 0.42
CHRND Q07001 5/20 0.42
HSD11B1 P28845 1/20 0.36
DPP4 P27487 1/20 0.36
HPGD P15428 1/20 0.35
ICMT O60725 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9819493 0.84 SLC6A3 (0.44) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL9577875 0.79 HTR2C (0.41) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL27521110 0.78 SLC6A3 (0.43) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL11541948 0.77 HTR2C (0.42) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL11044632 0.77 UTS2R (0.40) SLC6A3SLC6A4SLC6A2CHRNA1CHRNB1
SCHEMBL10561360 0.76 HTR2C (0.38) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL23088187 0.74 SLC6A4 (0.57) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL29958001 0.74 SLC6A4 (0.57) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL31332698 0.72 SLC6A3 (0.55) HTR2CHTR2AHTR2BSLC6A3SLC6A4
SCHEMBL31332704 0.72 SLC6A3 (0.55) HTR2CHTR2AHTR2BSLC6A3SLC6A4

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
EP-1143949-A3 19-NOR-VITAMIN D3 COMPOUNDS WITH CALCEMIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-09-11 EP disclosed
EP-1143949-A2 19-NOR-VITAMIN D3 COMPOUNDS WITH CALCEMIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2001-10-17 EP disclosed
WO-2000010548-A2 19-NOR-VITAMIN D3 COMPOUNDS WITH CALCEMIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-03-02 WO disclosed