SCHEMBL10773237

SCHEMBL10773237

NCCCCc1c[nH]c2cc3c(cc12)OCO3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.61
HTR1A P08908 3/20 0.61
HTR1D P28221 3/20 0.61
HTR2C P28335 3/20 0.61
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR1B P28222 2/20 0.61
HTR1E P28566 2/20 0.61
HTR1F P30939 2/20 0.61
HTR7 P34969 2/20 0.61
HTR2B P41595 2/20 0.61
HTR3A P46098 2/20 0.61
HTR5A P47898 2/20 0.61
HTR6 P50406 2/20 0.61
HTR4 Q13639 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
MPO P05164 6/20 0.55
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1973250 0.89 HTR2A (0.66) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL31079780 0.89 HTR2A (0.66) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL10770864 0.85 HTR1A (0.61) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL10772090 0.85 HTR1A (0.61) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL32669398 0.80 HTR1A (0.66) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL30249043 0.76 HTR1D (1.00) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL20970981 0.76 HTR1D (1.00) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL27077936 0.76 HTR2A (0.65) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL32669266 0.74 MPO (0.59) HTR2AHTR1AHTR1DHTR2CHTR3E
SCHEMBL27078020 0.74 HTR2A (0.62) HTR2AHTR1AHTR1DHTR2CHTR3E

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
EP-0248187-A2 Indole derivative MERCK PATENT GmbH (DE) 1987-12-09 EP disclosed