SCHEMBL7355756

SCHEMBL7355756

COc1cccc(C(C)NCCCc2cccc(Cl)c2Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.84
HTR1A P08908 1/20 0.83
ADRA2B P18089 1/20 0.83
ADRA2C P18825 1/20 0.83
SLC6A2 P23975 1/20 0.83
HRH2 P25021 1/20 0.83
HTR2A P28223 1/20 0.83
HTR2C P28335 1/20 0.83
HRH1 P35367 1/20 0.83
OPRM1 P35372 1/20 0.83
DRD3 P35462 1/20 0.83
OPRK1 P41145 1/20 0.83
HTR2B P41595 1/20 0.83
HTR5A P47898 1/20 0.83
HTR6 P50406 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
GPR65 Q8IYL9 1/20 0.83
SIGMAR1 Q99720 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 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
Tecalcet SCHEMBL31424074 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL896469 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL1275509 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL30092843 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL31424064 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL311950 0.92 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL1178449 0.91 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL1178446 0.91 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
Tecalcet SCHEMBL29374613 0.91 CASR (1.00) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL6222202 0.88 CASR (0.93) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed