SCHEMBL8636573

SCHEMBL8636573

COc1c(C)cc(C(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CCNCC3)(c3ccc(Cl)c(Cl)c3)C2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.66
TACR1 P25103 13/20 0.66
TACR3 P29371 1/20 0.56
HRH1 P35367 1/20 0.56

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
SCHEMBL1421506 0.93 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8310101 0.93 TACR2 (0.66) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8304865 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8350311 0.92 TACR2 (0.66) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL19209904 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8347416 0.91 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8351114 0.91 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8635837 0.90 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8353144 0.90 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL8350749 0.89 TACR2 (0.65) 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