SCHEMBL6328142

SCHEMBL6328142

CC(C)NN1CCc2ccc3c(c21)CCO3

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
HTR2B P41595 3/20 0.56
HTR2A P28223 2/20 0.56
MTNR1B P49286 13/20 0.35
MTNR1A P48039 12/20 0.35
ACACB O00763 1/20 0.32
ABCB11 O95342 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
USP2 O75604 1/20 0.32
OGA O60502 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL905999 0.72 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1A
SCHEMBL6328136 0.72 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1A
Propane SCHEMBL6328140 0.72 HTR2C (0.60) HTR2CHTR2BHTR2AMTNR1BMTNR1A
SCHEMBL25882779 0.72 HTR2C (0.68) HTR2CHTR2BHTR2AMTNR1BMTNR1A
SCHEMBL906000 0.69 HTR2C (0.57) HTR2CHTR2BHTR2AHTR1A
SCHEMBL8890307 0.69 HTR2A (0.50) HTR2CHTR2BHTR2AMTNR1BMTNR1A
Ammonia Solution, Strong SCHEMBL906002 0.69 HTR2C (0.64) HTR2CHTR2BHTR2AMTNR1BMTNR1A
SCHEMBL4829208 0.68 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1A
SCHEMBL8888063 0.67 HTR2C (0.65) HTR2CHTR2BHTR2AMTNR1BMTNR1A
SCHEMBL8890016 0.67 HTR2A (0.61) HTR2CHTR2BHTR2AMTNR1BMTNR1A

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-6962939-B1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2005-11-08 US disclosed