SCHEMBL29017882

SCHEMBL29017882

CCN(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.72
HTR6 P50406 4/20 0.72
HTR2A P28223 7/20 0.67
HTR2C P28335 4/20 0.67
HTR2B P41595 3/20 0.67
SLC6A4 P31645 2/20 0.59
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
ADRA1B P35368 2/20 0.57
HTR1B P28222 2/20 0.57

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
SCHEMBL30183060 0.89 HTR2A (0.69) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL14950623 0.84 HTR1A (0.76) HTR1AHTR6HTR2AHTR2CHTR2B
Diethyltryptamine SCHEMBL517713 0.84 HTR1A (1.00) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL6933897 0.83 HTR2A (0.70) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL29504149 0.83 HTR1A (0.74) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL20970920 0.83 HTR1A (0.74) HTR1AHTR6HTR2AHTR2CHTR2B
Diethyltryptamine SCHEMBL22462319 0.83 HTR1A (0.97) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL14705330 0.82 HTR1A (0.83) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL28037067 0.81 HTR2A (0.66) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL14705827 0.81 HTR1A (0.81) HTR1AHTR6HTR2AHTR2CHTR2B

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
CN-118812576-A Fluorescent probe for detecting cytochrome oxidase CYP2D6 and application thereof 大连医科大学附属第二医院 2024-10-22 CN disclosed
CN-116273802-A Embossed film manufacturing method, embossed film and embossing equipment 深圳市长松科技有限公司 2023-06-23 CN disclosed