Propane

Propane

SCHEMBL6328140

CCC.NN1CCc2ccc3c(c21)CCO3

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.60
HTR2A P28223 6/20 0.60
HTR2B P41595 5/20 0.60
MTNR1B P49286 12/20 0.36
MTNR1A P48039 11/20 0.36
ABCB11 O95342 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
USP2 O75604 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL906002 0.78 HTR2C (0.64) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL8888063 0.76 HTR2C (0.65) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL6328136 0.76 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL905999 0.76 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL7499133 0.74 HTR2A (0.62) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL8890016 0.73 HTR2A (0.61) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL906000 0.73 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL4935456 0.73 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL8888059 0.73 HTR2A (0.61) HTR2CHTR2AHTR2BMTNR1BMTNR1A
SCHEMBL8890307 0.72 HTR2A (0.50) HTR2CHTR2AHTR2BMTNR1BMTNR1A

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