SCHEMBL8639349

SCHEMBL8639349

COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.NC(=O)N1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.80
TACR1 P25103 7/20 0.80
TACR3 P29371 1/20 0.80
HRH1 P35367 1/20 0.80

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
Hydrochloric Acid SCHEMBL8355444 0.99 TACR2 (0.79) TACR2TACR1TACR3HRH1
SCHEMBL8356203 0.94 TACR2 (0.84) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8640377 0.93 TACR2 (0.82) TACR2TACR1TACR3HRH1
SCHEMBL8347371 0.93 TACR2 (0.82) TACR2TACR1TACR3HRH1
SCHEMBL8352991 0.93 TACR2 (0.82) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8634955 0.92 TACR2 (0.81) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8355703 0.92 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL7829967 0.92 TACR2 (0.88) TACR2TACR1TACR3HRH1
SCHEMBL7829976 0.92 TACR2 (0.88) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL16353755 0.91 TACR2 (0.79) 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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US claimed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed