SCHEMBL8907471

SCHEMBL8907471

Cc1ccc2[nH]c3c(c2c1)CCNC3Cc1cccc2ncoc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.54
HTR7 P34969 5/20 0.48
CHRM4 P08173 4/20 0.48
DRD2 P14416 2/20 0.46
HTR2A P28223 10/20 0.45
HTR2C P28335 7/20 0.45

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
SCHEMBL8905515 0.89 HTR2A (0.59) HTR2BHTR7CHRM4HTR2AHTR2C
SCHEMBL8907026 0.88 HTR7 (0.46) HTR2BHTR7CHRM4DRD2HTR2A
SCHEMBL8906894 0.87 HTR7 (0.61) HTR7CHRM4DRD2HTR2AHTR2C
SCHEMBL8905551 0.83 HTR2B (0.56) HTR2BHTR7CHRM4DRD2HTR2A
SCHEMBL8907078 0.79 HTR2A (0.41) HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL8684280 0.78 HTR2B (0.58) HTR2BHTR7CHRM4DRD2HTR2A
Hydrochloric Acid SCHEMBL8684071 0.78 HTR2B (0.58) HTR2BHTR7CHRM4DRD2HTR2A
SCHEMBL8905869 0.78 HTR2B (0.55) HTR2BHTR7CHRM4DRD2HTR2A
Hydrochloric Acid SCHEMBL7818685 0.75 HTR2B (0.71) HTR2BHTR7CHRM4DRD2HTR2A
SCHEMBL8938524 0.74 HTR2B (0.57) HTR2BHTR7CHRM4DRD2HTR2A

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
WO-1997000871-A1 TETRAHYDRO-BETACARBOLINE DERIVATIVES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-01-09 WO disclosed