SCHEMBL30859490

SCHEMBL30859490

CN(C)CCc1cn(C(=O)n2cc(CCN(C)C)c3ccccc32)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.59
HTR7 P34969 5/20 0.59
HTR1A P08908 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR1F P30939 2/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
HDAC1 Q13547 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL24877623 1.00 HTR6 (0.59) HTR6HTR7HTR1AHTR1DHTR1B
Formic Acid SCHEMBL30485862 0.94 HTR7 (0.57) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL29261921 0.90 HTR7 (0.61) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877781 0.90 HTR6 (0.58) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877707 0.88 BCHE (0.57) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877826 0.87 HTR6 (0.56) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL30485873 0.87 HTR6 (0.56) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL25778422 0.87 HTR6 (0.59) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877842 0.87 HTR7 (0.58) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL24877725 0.86 HTR6 (0.55) HTR6HTR7HTR1AHTR1DHTR1B

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-117956991-A N, N-dimethyltryptamine and related hallucinogens and uses thereof 人类生物科学股份有限公司 2024-04-30 CN disclosed