SCHEMBL7493553

SCHEMBL7493553

NCCCN1CCc2ccc3c(c21)CCS3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PNMT P11086 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
SCHEMBL7501270 0.77 HTR2A (0.57) HTR2AHTR2CHTR2B
SCHEMBL7499133 0.72 HTR2A (0.62) HTR2AHTR2CHTR2BPNMT
SCHEMBL7493732 0.70 HTR2C (0.64) HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL4830658 0.69 LMNA (0.55) HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL7543324 0.69 LMNA (0.55) HTR2AHTR2CHTR2B
SCHEMBL7495949 0.69 HTR2A (0.40) HTR2AHTR2B
SCHEMBL19173231 0.68 HTR7 (0.43) HTR2AHTR2C
SCHEMBL7501273 0.66
SCHEMBL6216648 0.63 ALDH1A1 (0.72) HTR2A
SCHEMBL8888063 0.63 HTR2C (0.65) HTR2AHTR2CHTR2BPNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202964-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012602-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed