SCHEMBL8948040

SCHEMBL8948040

O=c1[nH]c2ccc(CCCCN3CCOCC3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
HTR2C P28335 8/20 0.61
LSS P48449 1/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
SIGMAR1 Q99720 6/20 0.46
POLB P06746 1/20 0.45

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 0.96 HTR1A (0.61) HTR1AHTR2CLSSDRD2HTR2A
SCHEMBL8948219 0.91 HTR1A (0.70) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL7756727 0.85 HTR1A (0.64) HTR1AHTR2CDRD2HTR2A
SCHEMBL8947912 0.84 HTR1A (0.85) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL7756745 0.84 HTR1A (0.63) HTR1AHTR2CDRD2HTR2A
SCHEMBL7763020 0.82 HTR1A (0.62) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8785423 0.82 HTR1A (0.69) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8948002 0.80 HTR1A (0.87) HTR1AHTR2CDRD2HTR2ASIGMAR1
SCHEMBL8958326 0.80 SIGMAR1 (0.67) HTR1AHTR2CSIGMAR1
SCHEMBL8786197 0.80 HTR1A (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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