SCHEMBL8628430

SCHEMBL8628430

CNCCCCCC(N)NC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 2/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
S1PR2 O95136 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR4 O95977 4/20 0.31
KISS1R Q969F8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL12295824 0.90
SCHEMBL2318572 0.79
SCHEMBL19541418 0.78 OPRM1 (0.50) EPHX1SIGMAR1HTR2AHRH1TRPV1
SCHEMBL4977395 0.78 OPRM1 (0.50) EPHX1SIGMAR1HTR2AHRH1TRPV1
SCHEMBL8848619 0.78 OPRM1 (0.50) S1PR2S1PR1S1PR3S1PR4
SCHEMBL18315353 0.78 OPRM1 (0.50) S1PR2S1PR1S1PR3S1PR4
SCHEMBL1237932 0.78 OPRM1 (0.50) EPHX1SIGMAR1HTR2AHRH1TRPV1
SCHEMBL11155476 0.78 OPRM1 (0.50) S1PR2S1PR1S1PR3S1PR4
SCHEMBL31532911 0.78 OPRM1 (0.50) S1PR2S1PR1S1PR3S1PR4
SCHEMBL18315359 0.78 OPRM1 (0.50) S1PR2S1PR1S1PR3S1PR4

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-0619492-B1 Determination of an analyte in a liquid sample BOEHRINGER MANNHEIM GMBH (DE) 1998-07-01 EP disclosed
US-5397711-A Determination of an analyte in a sample liquid BOEHRINGER MANNHEIM GMBH (DE) 1995-03-14 US disclosed
EP-0619492-A1 Determination of an analyte in a liquid sample Roche Diagnostics GmbH (DE) 1994-10-12 EP disclosed