SCHEMBL9027870

SCHEMBL9027870

COc1cc(C(=O)N2CCCC[C@](CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.56
TACR1 P25103 3/20 0.56
HRH1 P35367 2/20 0.56
TACR3 P29371 1/20 0.56

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
SCHEMBL6999634 0.97 TACR2 (0.57) TACR2TACR1HRH1TACR3
SCHEMBL7000239 0.94 TACR2 (0.63) TACR2TACR1HRH1TACR3
SCHEMBL6995921 0.94 TACR2 (0.63) TACR2TACR1HRH1TACR3
SCHEMBL6999617 0.94 TACR2 (0.63) TACR2TACR1HRH1TACR3
SCHEMBL9028273 0.91 HRH1 (0.48) TACR2TACR1HRH1TACR3
SCHEMBL3981423 0.88 TACR2 (0.59) TACR2TACR1HRH1TACR3
SCHEMBL3981504 0.88 TACR2 (0.54) TACR2TACR1HRH1TACR3
SCHEMBL7962412 0.88 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL3979987 0.88 TACR2 (0.53) TACR2TACR1HRH1TACR3
SCHEMBL9028577 0.86 TACR2 (0.58) TACR2TACR1HRH1TACR3

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-5563133-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed