SCHEMBL8812432

SCHEMBL8812432

NC(=O)OC1(c2ccccc2)CCN(CCC2(c3ccc4ccccc4c3)CCN(C(=O)c3ccccc3)C2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.62
TACR1 P25103 14/20 0.62
TACR3 P29371 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL8808304 0.89 TACR2 (0.77) TACR2TACR1TACR3HRH1
SCHEMBL8807069 0.87 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8810353 0.84 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL8808621 0.83 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8809673 0.82 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL8809790 0.82 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8808230 0.82 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL8808635 0.81 TACR2 (0.81) TACR2TACR1TACR3HRH1
SCHEMBL7958373 0.80 TACR2 (0.52) TACR2TACR1TACR3HRH1
SCHEMBL8808966 0.79 TACR2 (0.80) 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