SCHEMBL8883531

SCHEMBL8883531

CC(C)Oc1cccc(CC(=O)N2CC[C@](CCOS(C)(=O)=O)(c3cccc4ccccc34)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
BRS3 P32247 1/20 0.41
HRH1 P35367 1/20 0.40

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
SCHEMBL8884449 0.89 TACR2 (0.55) TACR2TACR1HRH1
SCHEMBL8884091 0.87 MEN1 (0.47) TACR2TACR1
SCHEMBL9027026 0.86 TACR2 (0.46) TACR2TACR1BRS3HRH1
SCHEMBL8885397 0.85 TACR2 (0.53) TACR2TACR1BRS3HRH1
SCHEMBL8885181 0.84 TACR2 (0.56) TACR2TACR1HRH1
SCHEMBL8882191 0.84 TACR2 (0.54) TACR2TACR1HRH1
SCHEMBL8883479 0.84 TACR2 (0.65) TACR2TACR1HRH1
SCHEMBL8882429 0.84 TACR2 (0.65) TACR2TACR1HRH1
SCHEMBL8592345 0.84 TACR2 (0.65) TACR2TACR1HRH1
SCHEMBL8885371 0.83 TACR2 (0.53) TACR2TACR1BRS3HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607947-A Pyrrolidinyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1997-03-04 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed