SCHEMBL8636935

SCHEMBL8636935

COc1ccc(C(=O)N2CC[C@](CCO)(c3ccc(Cl)c(Cl)c3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.67
TACR1 P25103 12/20 0.67
TACR3 P29371 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL8350673 1.00 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL8806939 0.92 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL8808694 0.89 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL8810221 0.88 TACR2 (0.56) TACR2TACR1TACR3HRH1
SCHEMBL8348496 0.86 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8349959 0.86 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL8640738 0.86 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL6954575 0.86 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL6992827 0.86 TACR2 (0.68) TACR2TACR1TACR3HRH1
SCHEMBL6992033 0.86 TACR2 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed