SCHEMBL9028273

SCHEMBL9028273

COc1ccc([C@@]2(CCOS(C)(=O)=O)CCCCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.48
TACR2 P21452 3/20 0.48
TACR1 P25103 3/20 0.48
TACR3 P29371 1/20 0.48
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6993104 0.94 TACR2 (0.54) HRH1TACR2TACR1TACR3
SCHEMBL8883073 0.94 TACR2 (0.54) HRH1TACR2TACR1TACR3
SCHEMBL9027870 0.91 TACR2 (0.56) HRH1TACR2TACR1TACR3
SCHEMBL6999634 0.89 TACR2 (0.57) HRH1TACR2TACR1TACR3
SCHEMBL9027948 0.86 TACR2 (0.49) TACR2TACR1
SCHEMBL6995921 0.85 TACR2 (0.63) HRH1TACR2TACR1TACR3
SCHEMBL7000239 0.85 TACR2 (0.63) HRH1TACR2TACR1TACR3
SCHEMBL6999617 0.85 TACR2 (0.63) HRH1TACR2TACR1TACR3
SCHEMBL6988940 0.85 TACR2 (0.51) HRH1TACR2TACR1TACR3
SCHEMBL6997708 0.84 ALDH1A1 (0.53) HRH1TACR2TACR1TACR3

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