SCHEMBL8807017

SCHEMBL8807017

COc1ccccc1CC(=O)N1CCC(CCN2CCC(OC(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.81
TACR1 P25103 19/20 0.81
TACR3 P29371 1/20 0.58
HRH1 P35367 1/20 0.58

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
SCHEMBL8807709 0.89 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8806382 0.88 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8808966 0.88 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8808635 0.85 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8808304 0.84 TACR2 (0.77) TACR2TACR1TACR3HRH1
SCHEMBL8808454 0.84 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8808621 0.83 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8810353 0.82 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8882704 0.81 TACR2 (0.70) TACR2TACR1TACR3HRH1
SCHEMBL8883597 0.81 TACR2 (0.70) 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