SCHEMBL8882965

SCHEMBL8882965

CC(C)Oc1cccc(CC(=O)N2CC[C@@](CCN3CCN(C4CCCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.70
TACR1 P25103 2/20 0.70
HRH1 P35367 1/20 0.49

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
SCHEMBL8883494 1.00 TACR2 (0.70) TACR2TACR1HRH1
SCHEMBL8882971 1.00 TACR2 (0.70) TACR2TACR1HRH1
SCHEMBL9028476 0.96 TACR1 (0.65) TACR2TACR1HRH1
SCHEMBL9032557 0.96 TACR1 (0.65) TACR2TACR1HRH1
SCHEMBL9028482 0.96 TACR1 (0.65) TACR2TACR1HRH1
SCHEMBL9028201 0.96 TACR1 (0.64) TACR2TACR1HRH1
SCHEMBL9027621 0.96 TACR1 (0.64) TACR2TACR1HRH1
SCHEMBL8883927 0.94 TACR1 (0.70) TACR2TACR1HRH1
SCHEMBL8883909 0.94 TACR1 (0.70) TACR2TACR1HRH1
SCHEMBL8885723 0.92 TACR1 (0.61) TACR2TACR1HRH1

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