SCHEMBL2778709

SCHEMBL2778709

C[C@@H](Cc1ccccc1)NCCCCN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.73
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
HTR1A P08908 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CNR1 P21554 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
MC4R P32245 1/20 0.58
ADRA1A P35348 1/20 0.58
HRH1 P35367 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
SCN1A P35498 1/20 0.58
OPRK1 P41145 1/20 0.58
SLC6A3 Q01959 1/20 0.58

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
SCHEMBL1202012 1.00 SIGMAR1 (0.73) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL9175505 1.00 SIGMAR1 (0.73) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL9191015 0.95 SIGMAR1 (0.72) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL30384619 0.91 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689723 0.89 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689707 0.89 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689714 0.89 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL5577576 0.87 SIGMAR1 (0.70) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL27968317 0.85 SIGMAR1 (0.53) SIGMAR1SLC6A4
SCHEMBL3464964 0.84 SIGMAR1 (0.77) SIGMAR1ADRB2ADRB1HTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142928-B1 ASSAY DEVICES AND COMPONENTS FOR USE THEREIN SELECTIVE ANTIBODIES LTD (GB) 2018-11-07 EP disclosed
US-8389296-B2 Assay devices and methods and components for use therein SELECTIVE ANTIBODIES LIMITED (GB) 2013-03-05 US disclosed
US-20100209295-A1 ASSAY DEVICES AND METHODS AND COMPONENTS FOR USE THEREIN SELECTIVE ANTIBODIES LIMITED (GB) 2010-08-19 US disclosed
EP-2142928-A1 ASSAY DEVICES AND METHODS AND COMPONENTS FOR USE THEREIN Selective Antibodies Limited (GB) 2010-01-13 EP disclosed
WO-2008129302-A1 ASSAV DEVICES AND METHODS AND COMPONENTS FOR USE THEREIN SELECTIVE ANTIBODIES LIMITED (GB) 2008-10-30 WO disclosed