SCHEMBL28037067

SCHEMBL28037067

NN(O)CCc1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.66
HTR1A P08908 5/20 0.66
HTR2C P28335 4/20 0.66
HTR2B P41595 3/20 0.66
HTR6 P50406 4/20 0.62
HTR1D P28221 2/20 0.62
HTR1B P28222 2/20 0.62
HTR7 P34969 2/20 0.62
CYP3A4 P08684 2/20 0.62
MPO P05164 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2A6 P11509 1/20 0.62
NFKB1 P19838 1/20 0.62
CTSK P43235 1/20 0.62
CYP2A13 Q16696 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
PMP22 Q01453 1/20 0.60
TRPM8 Q7Z2W7 1/20 0.59
TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL6933897 0.86 HTR2A (0.70) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL14950623 0.83 HTR1A (0.76) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL8861727 0.83 HTR2A (0.76) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL14631588 0.81 CDK4 (0.61) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL29017882 0.81 HTR1A (0.72) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL29164960 0.80 HTR1A (0.71) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL4985934 0.80 HTR2A (0.77) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL30183060 0.80 HTR2A (0.69) HTR2AHTR1AHTR2CHTR2BHTR6
N,N-Dimethyltryptamine SCHEMBL335710 0.79 HTR2A (1.00) HTR2AHTR1AHTR2CHTR2BHTR6
SCHEMBL6602711 0.79 HTR2A (0.70) HTR2AHTR1AHTR2CHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104004775-B One sterility changing gene and its application 未名兴旺系统作物设计前沿实验室(北京)有限公司 2018-08-28 CN disclosed
CN-104936584-B Composition for the prevention and treatment of behavior, spirit and cognitive disorder 瓦伦塔有限责任公司 2017-12-15 CN disclosed
CN-104936584-A Combination for the prophylaxis and treatment of behavioural, mental and cognitive disorders VALENTA INTELLEKT LTD 2015-09-23 CN disclosed