SCHEMBL8946225

SCHEMBL8946225

Cc1cc(CN2CCN(Cc3cc(=O)c4ccccc4o3)CC2)cc(C)c1C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.75
ACHE P22303 2/20 0.50
HTR2B P41595 5/20 0.49
HTR1A P08908 4/20 0.49
PPARG P37231 1/20 0.48
MAOB P27338 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
DRD2 P14416 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
BCHE P06276 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7299921 0.86 SIGMAR1 (1.00) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL8946184 0.83 SIGMAR1 (0.65) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL7294524 0.83 SIGMAR1 (0.76) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL14786700 0.82 SIGMAR1 (0.66) SIGMAR1HTR1ADRD2ALDH1A1
SCHEMBL7305898 0.82 SIGMAR1 (0.77) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL7297159 0.81 SIGMAR1 (0.81) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL7299375 0.81 SIGMAR1 (0.69) SIGMAR1HTR2BHTR1ADRD2MEN1
SCHEMBL466945 0.81 SIGMAR1 (0.76) SIGMAR1ACHEHTR2BHTR1AMAOB
SCHEMBL7293937 0.81 SIGMAR1 (0.67) SIGMAR1ACHEHTR2BHTR1APPARG
SCHEMBL8946214 0.81 SIGMAR1 (0.67) SIGMAR1ACHEHTR2BHTR1APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed