SCHEMBL9377809

SCHEMBL9377809

c1ccc2c(C3CCNC3)noc2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.39
DRD2 P14416 7/20 0.39
HTR2A P28223 7/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL795369 0.91 HTR2A (0.44) HTR1ADRD2HTR2A
SCHEMBL373467 0.90 BCHE (0.44) HTR1ADRD2HTR2ABCHEACHE
Hydrochloric Acid SCHEMBL1545403 0.89 BCHE (0.43) HTR1ADRD2HTR2ABCHEACHE
SCHEMBL5995383 0.89 BCHE (0.43) HTR1ADRD2HTR2ABCHEACHE
SCHEMBL23175425 0.81 DRD2 (0.46) HTR1ADRD2HTR2A
SCHEMBL7356803 0.80 ACHE (0.55) DRD2HTR2AACHE
SCHEMBL7726651 0.79 ACHE (0.55) DRD2HTR2AACHE
Hydrochloric Acid SCHEMBL1544936 0.79 ACHE (0.54) DRD2HTR2AACHE
SCHEMBL7966226 0.78 DRD2 (0.39) HTR1ADRD2HTR2A
SCHEMBL7966228 0.78 DRD2 (0.39) HTR1ADRD2HTR2A

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
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
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