SCHEMBL9680137

SCHEMBL9680137

c1ccc2c(c1)CC(N1CCN(c3noc4ccccc34)CC1)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SORD Q00796 2/20 0.47
HTR1A P08908 7/20 0.47
HTR7 P34969 4/20 0.47
DRD2 P14416 4/20 0.45
HTR2A P28223 4/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9681618 0.85 HTR2A (0.48) DPP4DPP8DPP7HTR1AHTR7
SCHEMBL14046594 0.79 SORD (0.54) SORDHTR1AHTR7DRD2HTR2A
SCHEMBL5095814 0.79 DPP4 (0.49) DPP4DPP8DPP7SORDHTR1A
SCHEMBL13991484 0.77 HRH3 (0.49) DPP4DPP8DPP7SORDHTR1A
SCHEMBL9377818 0.77 HPGD (0.55) SORDHTR1AHTR7DRD2HTR2A
SCHEMBL3556933 0.76 KDM4E (0.52) HTR1ADRD2ALDH1A1LMNAMAPK1
SCHEMBL458698 0.76 HPGD (0.58) SORDHTR1ADRD2HTR2AMAPK1
SCHEMBL23064319 0.75 SORD (0.50) SORDHTR1AHTR7DRD2HTR2A
SCHEMBL30778007 0.75 SORD (0.50) SORDHTR1AHTR7DRD2HTR2A
SCHEMBL9190222 0.75 HTR1A (0.50) SORDHTR1AHTR7DRD2HTR2A

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
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed
EP-0494817-A1 Benzisoxazole and benzisothiazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-07-15 EP disclosed