SCHEMBL8946227

SCHEMBL8946227

C=C(C)N1CCN(Cc2cc(=O)c3ccccc3o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.67
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
PPARG P37231 1/20 0.45
ACHE P22303 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2B P41595 4/20 0.43
HTR1A P08908 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAOB P27338 2/20 0.43
TNKS O95271 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
SCHEMBL7294524 0.83 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7306084 0.82 SIGMAR1 (0.63) SIGMAR1NPSR1ALDH1A1HTTKDM4E
SCHEMBL7305898 0.82 SIGMAR1 (0.77) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299921 0.81 SIGMAR1 (1.00) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL17237763 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7298240 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299989 0.80 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL8946216 0.79 SIGMAR1 (0.65) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL3605597 0.79 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGNPSR1
SCHEMBL7308430 0.78 SIGMAR1 (0.71) SIGMAR1CYP11B1CYP11B2PPARGACHE

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