SCHEMBL8306212

SCHEMBL8306212

COc1ccc2[nH]cc(CCN3CCC(CC(=O)c4ccc(F)cc4)C3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR1A P08908 3/20 0.55
ACHE P22303 4/20 0.51
BCHE P06276 3/20 0.51
SLC6A4 P31645 1/20 0.51
DRD2 P14416 1/20 0.50
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
Hydrochloric Acid SCHEMBL9073679 0.99 HTR2A (0.54) HTR2AHTR1AACHEBCHESLC6A4
SCHEMBL8306860 0.95 HTR1A (0.62) HTR1AACHEBCHESLC6A4DRD2
SCHEMBL8310233 0.85 HTR1A (0.60) HTR2AHTR1AACHESLC6A4DRD2
SCHEMBL8307225 0.83 NQO2 (0.47) HTR2AHTR1ASLC6A4DRD2
Hydrochloric Acid SCHEMBL8913070 0.83 NQO2 (0.46) HTR2AHTR1ASLC6A4DRD2
SCHEMBL11739332 0.80 HTR2A (0.69) HTR2AHTR1ASLC6A4DRD2
SCHEMBL8310519 0.79 NQO2 (0.46) HTR2AHTR1ASLC6A4DRD2
Hydrochloric Acid SCHEMBL8912255 0.78 NQO2 (0.45) HTR2AHTR1ASLC6A4DRD2
SCHEMBL31579316 0.77 HTR2A (0.71) HTR2AHTR1ADRD2MAPT
SCHEMBL8309219 0.76 HTR1A (0.65) HTR2AHTR1AACHESLC6A4

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
EP-0747379-B1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR (FR) 1999-08-11 EP disclosed
EP-0747379-A1 Derivatives of indole, indazole and benzisoxazole for the treatment of schizophrenia ADIR ET COMPAGNIE (FR) 1996-12-11 EP disclosed