SCHEMBL8808304

SCHEMBL8808304

NC(=O)OC1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.77
TACR1 P25103 17/20 0.77
TACR3 P29371 2/20 0.64
HRH1 P35367 1/20 0.64

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
SCHEMBL8810353 0.92 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8808621 0.92 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8809790 0.92 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8808635 0.91 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8812432 0.89 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL8808966 0.89 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8806382 0.89 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8355530 0.87 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8808454 0.86 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8352866 0.85 TACR2 (0.86) 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