SCHEMBL8636065

SCHEMBL8636065

COc1cc(CN2CCC(CC=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.49
TACR1 P25103 4/20 0.49
TACR3 P29371 1/20 0.47
HRH1 P35367 1/20 0.47
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8356000 0.84 TACR2 (0.52) TACR2TACR1TACR3HRH1
SCHEMBL8355488 0.84 TACR2 (0.54) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8642997 0.84 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL8302104 0.83 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL7956467 0.83 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL7488687 0.82 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL8355998 0.78 TACR2 (0.42) TACR2TACR1TACR3HRH1USP2
Hydrochloric Acid SCHEMBL8642995 0.77 TACR2 (0.43) TACR2TACR1TACR3HRH1USP2
SCHEMBL9045923 0.76 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8353785 0.76 TACR2 (0.83) 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