SCHEMBL28196482

SCHEMBL28196482

c1ccc2c(N3CCCNC3)cccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.65
HTR1A P08908 4/20 0.65
HTR2A P28223 4/20 0.65
HTR5A P47898 2/20 0.65
NCF1 P14598 2/20 0.65
HTR3A P46098 2/20 0.65
HTR3E A5X5Y0 1/20 0.65
HTR3B O95264 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
HTR7 P34969 1/20 0.65
MTOR P42345 1/20 0.65
HTR3D Q70Z44 1/20 0.65
HTR3C Q8WXA8 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SIGMAR1 Q99720 1/20 0.65

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
SCHEMBL7687000 0.95 HTR6 (0.63) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL4765551 0.90 HTR6 (0.80) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL7719591 0.87 HTR6 (0.87) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL1876619 0.80 NCF1 (0.69) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL569714 0.80 HTR1A (0.69) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL29385724 0.79 HTR6 (1.00) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL240244 0.79 HTR6 (1.00) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL3166780 0.79 HTR6 (1.00) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL3080094 0.78 NCF1 (0.67) HTR6HTR1AHTR2AHTR5ANCF1
SCHEMBL7491687 0.78 NCF1 (0.67) HTR6HTR1AHTR2AHTR5ANCF1

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
CN-107580598-A Ethynyl derivatives serving as metabotropic glutamate receptor modulators 豪夫迈·罗氏有限公司 2018-01-12 CN claimed