SCHEMBL9384231

SCHEMBL9384231

Fc1ccc2c(C3CCN(CC4Cc5ccccc5O4)CC3)noc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.64
HTR2A P28223 6/20 0.64
HTR2C P28335 4/20 0.64
ACHE P22303 2/20 0.60
SLC6A4 P31645 1/20 0.59
MCHR1 Q99705 1/20 0.56

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
SCHEMBL9683993 0.92 ACHE (0.62) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL9683889 0.87 DRD2 (0.61) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL1545123 0.86 HTR2A (0.60) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL9381946 0.85 HTR2A (0.82) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL9684563 0.84 ACHE (0.55) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL9378325 0.83 DRD2 (0.61) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL1545818 0.83 ACHE (0.72) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL9684515 0.83 HTR2A (0.56) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL467202 0.82 DRD2 (0.66) DRD2HTR2AHTR2CACHESLC6A4
SCHEMBL8871775 0.79 ACHE (0.77) DRD2HTR2AHTR2CACHESLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428437-B1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-17 EP disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP disclosed