SCHEMBL7998316

SCHEMBL7998316

COc1cccc2ccn(C(c3cn(CC(C)N)c4c(O)cccc34)C(C)N)c12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.42
HTR2A P28223 11/20 0.41
HTR2B P41595 5/20 0.35
MAPT P10636 1/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL7998314 0.79 HTR2C (0.53) HTR2CHTR2AHTR2BMAPT
SCHEMBL7997702 0.73 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL7983996 0.70 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL19564699 0.66 HTR2A (0.41) HTR2CHTR2AMAPT
SCHEMBL4081224 0.62 SLC6A4 (0.46)
SCHEMBL4085719 0.60 SLC6A2 (0.65)
SCHEMBL23927854 0.59 HTR2C (0.42) HTR2CHTR2AHTR2BCNR2
SCHEMBL29780344 0.59 HTR2C (0.42) HTR2CHTR2AHTR2BCNR2
SCHEMBL23927852 0.59 HTR2C (0.42) HTR2CHTR2AHTR2BCNR2
Hydrochloric Acid SCHEMBL4090298 0.59 SLC6A2 (0.65)

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