SCHEMBL6951192

SCHEMBL6951192

COc1ccc(C2=CCN(Cc3ccccc3)C[C@H]2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
HRH2 P25021 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6951187 1.00 SIGMAR1 (0.52) SIGMAR1HRH2CHRM2CHRM4CHRM5
SCHEMBL8220899 0.86 NPC1 (0.55) MEN1KMT2A
SCHEMBL8220896 0.86 NPC1 (0.55) MEN1KMT2A
SCHEMBL6043447 0.82 SIGMAR1 (0.49) SIGMAR1HRH2CHRM2CHRM4CHRM5
SCHEMBL6043441 0.82 SIGMAR1 (0.49) SIGMAR1HRH2CHRM2CHRM4CHRM5
SCHEMBL6043661 0.78 SIGMAR1 (0.44) SIGMAR1HRH2CHRM2CHRM4CHRM5
SCHEMBL6043652 0.78 SIGMAR1 (0.44) SIGMAR1HRH2CHRM2CHRM4CHRM5
SCHEMBL27506178 0.75 HRH3 (0.53)
SCHEMBL238334 0.74 MEN1 (0.66) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL19066024 0.73 MEN1 (0.65) SIGMAR1MEN1KMT2A

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed