SCHEMBL8948219

SCHEMBL8948219

O=c1[nH]c2ccc(CCN3CCOCC3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.70
HTR2C P28335 8/20 0.70
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
SIGMAR1 Q99720 5/20 0.52
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 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
SCHEMBL467277 0.92 HTR1A (0.61) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8948040 0.91 HTR1A (0.61) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8948209 0.83 HTR1A (1.00) HTR1AHTR2CDRD2HTR2A
SCHEMBL8785477 0.81 HTR1A (0.79) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8786139 0.81 HTR1A (0.72) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL7756727 0.80 HTR1A (0.64) HTR1AHTR2CDRD2HTR2A
SCHEMBL7756745 0.79 HTR1A (0.63) HTR1AHTR2CDRD2HTR2A
SCHEMBL8109930 0.78 HTR1A (0.69) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL7763020 0.78 HTR1A (0.62) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8116065 0.77 HTR1A (0.67) HTR1AHTR2CDRD2HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234924-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-08-10 US claimed
US-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
US-5387586-A Analgesics, nervous system disorders ADIR ET COMPAGNIE (FR) 1995-02-07 US disclosed
EP-0613898-A1 Aryl or arylalkyl-carbonyl heterocyclic derivatives, processes for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-09-07 EP disclosed
US-5234924-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-08-10 US disclosed