SCHEMBL29440786

SCHEMBL29440786

COc1ccc2[nH]cc(CC[N+](=O)[O-])c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.64
HTR1A P08908 5/20 0.64
CYP2D6 P10635 3/20 0.64
CYP1A2 P05177 3/20 0.64
HTR1D P28221 2/20 0.64
HTR1B P28222 2/20 0.64
HTR2C P28335 2/20 0.64
HTR7 P34969 2/20 0.64
HTR6 P50406 2/20 0.64
HTR4 Q13639 2/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
TRPM8 Q7Z2W7 1/20 0.64
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
GPR84 Q9NQS5 1/20 0.62
MTNR1A P48039 3/20 0.61
HTR2B P41595 3/20 0.61

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
SCHEMBL28704885 1.00 HTR2A (0.64) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL28370586 0.89 HTR2A (0.64) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL8404321 0.82 HTR2A (0.61) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL8252894 0.80 HTR2A (0.76) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL2533137 0.80 GPR84 (0.61) HTR1ACYP1A2HTR1DHTR1BHTR2C
SCHEMBL178561 0.79 GPR84 (0.78) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL10945450 0.79 GPR84 (0.59) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL28374497 0.79 MPO (0.61) HTR2AHTR1ATSHRTRPM8GPR84
SCHEMBL28370930 0.79 HTR2A (0.61) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL763949 0.79 HTR2A (0.61) HTR2AHTR1AHTR1DHTR1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085179-B Preparation method of N-acetyl-5-methoxy tryptamine 福建科宏生物工程股份有限公司 2024-05-03 CN claimed
CN-114516826-A Preparation method of melatonin 八叶草健康产业研究院(厦门)有限公司 2022-05-20 CN claimed
CN-114085179-A Preparation method of N-acetyl-5-methoxytryptamine 福建科宏生物工程股份有限公司 2022-02-25 CN claimed
CN-114085179-B Preparation method of N-acetyl-5-methoxy tryptamine 福建科宏生物工程股份有限公司 2024-05-03 CN disclosed
CN-114085179-B Preparation method of N-acetyl-5-methoxy tryptamine 福建科宏生物工程股份有限公司 2024-05-03 CN disclosed
CN-114516826-A Preparation method of melatonin 八叶草健康产业研究院(厦门)有限公司 2022-05-20 CN disclosed
CN-114085179-A Preparation method of N-acetyl-5-methoxytryptamine 福建科宏生物工程股份有限公司 2022-02-25 CN disclosed
CN-114085179-A Preparation method of N-acetyl-5-methoxytryptamine 福建科宏生物工程股份有限公司 2022-02-25 CN disclosed