SCHEMBL19903876

SCHEMBL19903876

Cc1cccncccc(CCC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
NR3C2 P08235 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DAO P14920 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL65650 0.88 TAAR1 (0.57) TAAR1NR3C2GPR84GPR52HRH3
SCHEMBL29013833 0.86 TAAR1 (0.55) TAAR1NR3C2GPR84GPR52HRH3
SCHEMBL29807940 0.86 TAAR1 (0.55) TAAR1NR3C2GPR84ALDH1A1GPR52
SCHEMBL6083781 0.77 TAAR1 (0.53) TAAR1GPR84KDM4EALDH1A1GPR52
SCHEMBL348856 0.77 CHRNA7 (0.57) CYP1A2CYP2D6
SCHEMBL1299860 0.76 TAAR1 (0.52) TAAR1GPR84HRH3DAOMAOA
SCHEMBL13680805 0.74 EPHX2 (0.55) CYP11B1CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL19258592 0.73 MEN1 (0.43) TAAR1CYP2D6GPR52MEN1KMT2A
SCHEMBL8128782 0.73 TAAR1 (0.57) TAAR1NR3C2CYP11B1CYP11B2GPR84
SCHEMBL347894 0.72 LOXL2 (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-3287449-A2 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME Incyte Holdings Corporation (US) 2018-02-28 EP disclosed