SCHEMBL7069852

SCHEMBL7069852

CCCCC(N)c1cc(C(N)CCCC)cc(C(N)CCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
SLC2A1 P11166 1/20 0.46
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
ADRB2 P07550 4/20 0.33
BDKRB2 P30411 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL9350707 0.85 SLC2A1 (0.59) CA2SLC2A1OPRM1ALDH1A1TDP1
SCHEMBL1729000 0.85 CA2 (0.45) CA2SLC2A1OPRM1
SCHEMBL1729210 0.85 CA2 (0.45) CA2SLC2A1OPRM1
SCHEMBL1727790 0.80 TACR1 (0.43) CA2SLC2A1HTR2A
SCHEMBL1727512 0.80 TACR1 (0.43) CA2SLC2A1HTR2A
SCHEMBL6815043 0.80 TACR1 (0.43) CA2SLC2A1HTR2A
SCHEMBL14120590 0.80 CA2 (0.42) CA2SLC2A1OPRM1ALDH1A1TDP1
SCHEMBL22570767 0.79 SLC2A1 (0.50) CA2SLC2A1ALDH1A1HTR2A
SCHEMBL4851319 0.79 SLC2A1 (0.50) CA2SLC2A1ALDH1A1HTR2A
SCHEMBL453579 0.79 SLC2A1 (0.50) CA2SLC2A1ALDH1A1HTR2A

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-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 EP disclosed
US-6409909-B1 MULTIDIMENSIONAL SYSTEM FOR THE REAGENT-FREE, CONTINUOUS DETECTION OF A SUBSTANCE; AMPEROMETRY AND OPTICAL SENSORS; EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2002-06-25 US disclosed