SCHEMBL8346802

SCHEMBL8346802

CC(C)(C)OC(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.74
TACR1 P25103 19/20 0.74
TACR3 P29371 1/20 0.69
HRH1 P35367 1/20 0.69

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
SCHEMBL8436157 0.90 TACR2 (0.60) TACR2TACR1TACR3HRH1
SCHEMBL8355530 0.85 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8352469 0.84 TACR2 (0.84) TACR2TACR1TACR3HRH1
SCHEMBL7465937 0.84 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL8352632 0.83 TACR2 (0.79) TACR2TACR1TACR3HRH1
SCHEMBL8353466 0.83 TACR2 (0.91) TACR2TACR1TACR3HRH1
SCHEMBL8351117 0.83 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8353055 0.83 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8354100 0.83 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8350752 0.83 TACR2 (1.00) TACR2TACR1TACR3HRH1

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
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed