SCHEMBL8948209

SCHEMBL8948209

O=c1[nH]c2ccc(CCN3CCN(c4ccccc4)CC3)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 1.00
HTR2C P28335 8/20 1.00
DRD2 P14416 7/20 0.64
HTR2A P28223 5/20 0.64
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL8948002 0.93 HTR1A (0.87) HTR1AHTR2CDRD2HTR2A
SCHEMBL8947912 0.92 HTR1A (0.85) HTR1AHTR2CDRD2HTR2A
SCHEMBL8785477 0.88 HTR1A (0.79) HTR1AHTR2CDRD2HTR2AADRA1D
SCHEMBL8948066 0.87 HTR1A (0.77) HTR1AHTR2CDRD2HTR2A
SCHEMBL8785701 0.85 HTR1A (1.00) HTR1AHTR2CDRD2HTR2AADRA1A
SCHEMBL8786139 0.84 HTR1A (0.72) HTR1AHTR2CDRD2HTR2AADRA1A
SCHEMBL8948219 0.83 HTR1A (0.70) HTR1AHTR2CDRD2HTR2A
SCHEMBL8786294 0.82 HTR1A (1.00) HTR1AHTR2CDRD2HTR2AADRA1D
SCHEMBL4891426 0.82 HTR1A (0.75) HTR1AHTR2CDRD2HTR2AADRA1D
SCHEMBL8109930 0.81 HTR1A (0.69) HTR1AHTR2CDRD2HTR2A

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