SCHEMBL3654658

SCHEMBL3654658

COc1cccc(C(C)NCc2c[nH]nc2-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.60
HTR1A P08908 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
HTR5A P47898 1/20 0.48
HTR6 P50406 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.43
HCRTR1 O43613 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
SCHEMBL2217835 1.00 CASR (0.60) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2218694 0.87 PKM (0.46) CASROPRM1LMNAHCRTR1HCRTR2
SCHEMBL2219196 0.87 MEN1 (0.51) CASRHTR1ASLC6A2OPRM1DRD3
SCHEMBL2219867 0.76 CASR (0.59) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2218811 0.74 CASR (0.49) CASRHTR1AADRA2CSLC6A2HRH2
SCHEMBL27289914 0.74 FGFR1 (0.49) SIGMAR1CYP3A4CYP2D6
SCHEMBL14540134 0.73 CASR (0.70) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL15131119 0.73 CASR (0.70) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL3923152 0.73 CASR (0.88) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL2461168 0.72 CASR (0.61) CASRHTR1AADRA2BADRA2CSLC6A2

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-2212284-A2 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2010-08-04 EP disclosed
WO-2009051718-A2 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2009-04-23 WO disclosed