SCHEMBL8809673

SCHEMBL8809673

COc1ccc(C2(CCN3CCC(OC(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.69
TACR1 P25103 5/20 0.69
TACR3 P29371 1/20 0.69
HRH1 P35367 1/20 0.69

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
SCHEMBL8808230 0.95 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL8808635 0.93 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8353159 0.89 TACR2 (0.87) TACR2TACR1TACR3HRH1
SCHEMBL8355599 0.88 TACR2 (0.77) TACR2TACR1TACR3HRH1
SCHEMBL14379769 0.84 TACR2 (0.78) TACR2TACR1TACR3HRH1
SCHEMBL8636511 0.83 TACR2 (0.91) TACR2TACR1TACR3HRH1
SCHEMBL8808621 0.83 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8350027 0.83 TACR2 (0.86) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8355581 0.83 TACR2 (0.85) TACR2TACR1TACR3HRH1
SCHEMBL8812432 0.82 TACR2 (0.62) 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
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP claimed