SCHEMBL8636042

SCHEMBL8636042

COc1cc(C(=O)N2CCC(CCCS(=O)(=O)O)(c3ccc(F)cc3)C2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.51
PKM P14618 1/20 0.51
TACR1 P25103 4/20 0.49
TACR2 P21452 3/20 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
SCHEMBL8641331 0.92 ALDH1A1 (0.52) HRH1TACR1TACR2TACR3
SCHEMBL8639998 0.92 TACR2 (0.51) HRH1TACR1TACR2TACR3
SCHEMBL8636061 0.91 TACR2 (0.49) HRH1TACR1TACR2TACR3
SCHEMBL8355595 0.91 HRH1 (0.56) HRH1TACR1TACR2TACR3
SCHEMBL8640838 0.90 HRH1 (0.53) HRH1TACR1TACR2TACR3
SCHEMBL8353694 0.90 HRH1 (0.55) HRH1TACR1TACR2TACR3
SCHEMBL7947406 0.89 PKM (0.52) HRH1PKMTACR1TACR2TACR3
SCHEMBL8638582 0.89 HRH1 (0.54) HRH1PKMTACR1TACR2TACR3
SCHEMBL8347210 0.88 TACR2 (0.62) HRH1TACR1TACR2TACR3
SCHEMBL8640617 0.88 TACR2 (0.50) HRH1TACR1TACR2TACR3

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