SCHEMBL17156258

SCHEMBL17156258

COCc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.56
▸ SLC6A4 P31645 3/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ NR3C1 P04150 3/20 0.32
▸ GRM7 Q14831 1/20 0.32
▸ ACACB O00763 3/20 0.32
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA5 P31644 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ TRPV6 Q9H1D0 1/20 0.30
▸ ALKBH1 Q13686 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
SCHEMBL17156206 0.89 DHODH (0.57) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156135 0.85 DHODH (0.74) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156110 0.85 DHODH (0.56) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156336 0.77 DHODH (0.52) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156198 0.77 DHODH (0.60) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156340 0.77 DHODH (0.62) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156091 0.76 DHODH (0.61) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156185 0.76 DHODH (0.58) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156326 0.72 DHODH (0.57) DHODHSLC6A4TMEM97ADRB3ADRA1D
SCHEMBL17156207 0.72 DHODH (1.00) DHODHSLC6A4TMEM97ADRB3ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2929883-A1 Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors INSTITUT PASTEUR (FR) 2015-10-14 — — EP disclosed
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