SCHEMBL8636061

SCHEMBL8636061

COc1cc(C(=O)N2CCC(CCCS(=O)(=O)O)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.49
TACR1 P25103 3/20 0.49
HRH1 P35367 2/20 0.49
TACR3 P29371 1/20 0.49

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
SCHEMBL8636042 0.91 HRH1 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL8639998 0.90 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL8353694 0.90 HRH1 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL7958458 0.89 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL8636585 0.89 TACR2 (0.56) TACR2TACR1HRH1TACR3
SCHEMBL8634969 0.89 TACR2 (0.54) TACR2TACR1HRH1TACR3
SCHEMBL8347210 0.89 TACR2 (0.62) TACR2TACR1HRH1TACR3
SCHEMBL8640617 0.89 TACR2 (0.50) TACR2TACR1HRH1TACR3
SCHEMBL8641331 0.88 ALDH1A1 (0.52) TACR2TACR1HRH1TACR3
SCHEMBL8355595 0.87 HRH1 (0.56) TACR2TACR1HRH1TACR3

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