SCHEMBL8787203

SCHEMBL8787203

COc1ccccc1N1CCN(CCCCc2ccc3c(c2)SCC(=O)N3)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.65
HTR2C P28335 4/20 0.65
DRD2 P14416 1/20 0.59

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
SCHEMBL10863914 0.94 HTR1A (0.62) HTR1AHTR2CDRD2
SCHEMBL8785263 0.93 HTR1A (0.63) HTR1AHTR2CDRD2
SCHEMBL8785451 0.88 HTR1A (0.66) HTR1AHTR2CDRD2
SCHEMBL9658518 0.85 HTR1A (0.68) HTR1AHTR2CDRD2
SCHEMBL8785358 0.82 HTR1A (0.73) HTR1AHTR2CDRD2
SCHEMBL10835764 0.81 DRD2 (0.68) HTR1AHTR2CDRD2
SCHEMBL10865110 0.81 HTR1A (0.75) HTR1AHTR2CDRD2
SCHEMBL9449665 0.81 MAOB (0.48) HTR1AHTR2CDRD2
SCHEMBL10863889 0.81 DRD4 (0.65) HTR1ADRD2
SCHEMBL10864715 0.80 HTR1A (0.59) HTR1AHTR2CDRD2

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-0478446-B1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-11-19 EP disclosed
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP disclosed