SCHEMBL541683

SCHEMBL541683

CCn1cc(-c2cccc(OC)c2)c2cc(CNC(C)c3cccc(OC)c3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.57
PPARG P37231 1/20 0.41
BRD4 O60885 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL541682 1.00 CASR (0.57) CASRPPARGBRD4HTR1AADRA2B
SCHEMBL541318 0.95 CASR (0.53) CASRPPARGBRD4
SCHEMBL541477 0.92 CASR (0.58) CASRPPARGMEN1KMT2ALMNA
SCHEMBL541227 0.92 CASR (0.58) CASRPPARGMEN1KMT2ALMNA
SCHEMBL541388 0.86 CASR (0.43) CASRPPARGBRD4
SCHEMBL541398 0.86 CASR (0.43) CASRPPARGBRD4
SCHEMBL541458 0.85 CASR (0.48) CASRPPARG
SCHEMBL541459 0.85 CASR (0.48) CASRPPARG
SCHEMBL541461 0.83 CASR (0.47) CASRMEN1KMT2A
SCHEMBL541235 0.83 CASR (0.47) CASRMEN1KMT2A

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
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed