SCHEMBL30630366

SCHEMBL30630366

CN(CCc1c[nH]c2ccc(OP(=O)(O)O)cc12)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.54
HTR1B P28222 7/20 0.52
HTR1A P08908 6/20 0.52
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2B P41595 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
HTR7 P34969 1/20 0.52
HTR3A P46098 1/20 0.52
HTR5A P47898 1/20 0.52
HTR6 P50406 1/20 0.52
HTR4 Q13639 1/20 0.52

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
SCHEMBL27084841 1.00 HTR1D (0.54) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL27084866 0.91 HTR6 (0.52) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL30630378 0.87 HTR1D (0.70) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL27085165 0.87 HTR1D (0.70) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL30630369 0.85 HTR1D (0.74) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL27084700 0.85 HTR1D (0.74) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL1968664 0.85 HTR1A (0.72) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL24243784 0.84 HTR1D (0.60) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL27084796 0.83 HTR1D (0.57) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL27085184 0.83 HTR1A (0.70) HTR1DHTR1BHTR1AMTNR1AMTNR1B

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-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 CN disclosed