SCHEMBL6493141

SCHEMBL6493141

NC1OCCN2c3c1cccc3[C@@H]1CN(C(=O)O)CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.41
HTR2C P28335 15/20 0.41
DRD2 P14416 12/20 0.41
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CCR3 P51677 3/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL6501085 0.79 HTR2C (0.41) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL6492716 0.79 HTR2C (0.41) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL6498873 0.79 HTR2A (0.36) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5421686 0.77 CCR3 (0.54) HTR2AHTR2CHTR1ADRD4CCR3
SCHEMBL5421689 0.77 CCR3 (0.54) HTR2AHTR2CHTR1ADRD4CCR3
SCHEMBL5415822 0.75 HTR2A (0.56) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5415823 0.75 HTR2A (0.56) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL5415535 0.74 HTR2A (0.56) HTR2AHTR2CDRD2HTR1ADRD4
SCHEMBL6622170 0.74 HTR2A (0.56) HTR2AHTR2CDRD2SLC6A4
SCHEMBL4555380 0.74 HTR2A (0.64) HTR2AHTR2CDRD2HTR1ADRD4

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
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed