SCHEMBL7995774

SCHEMBL7995774

COc1ccc2c(C)cn(CC(C)N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.56
HTR2A P28223 9/20 0.49
HTR2B P41595 2/20 0.49
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7983649 0.90 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL7983641 0.90 HTR2C (0.63) HTR2CHTR2AHTR2B
Maleic Acid SCHEMBL7994532 0.89 HTR2C (0.46) HTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL7994542 0.89 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL7850213 0.80 HTR6 (0.49) ALDH1A1
SCHEMBL27343269 0.75 HTR2C (0.64) HTR2CHTR2A
SCHEMBL7997598 0.74 HTR2C (0.81) HTR2CHTR2AHTR2B
SCHEMBL7093740 0.74 HTR2C (0.81) HTR2CHTR2AHTR2B
SCHEMBL905840 0.73 HTR2C (0.58) HTR2CHTR2AHTR2B
SCHEMBL23927889 0.72 HTR6 (0.45) HTR2CALDH1A1

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-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed