SCHEMBL9028015

SCHEMBL9028015

CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC(N4CCCCC4)CC3)(c3cccc(Cl)c3)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
TACR2 P21452 1/20 0.56
HRH1 P35367 1/20 0.48
CCR5 P51681 1/20 0.46

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
SCHEMBL9027999 1.00 TACR1 (0.56) TACR1TACR2HRH1CCR5
SCHEMBL9028153 0.98 TACR1 (0.56) TACR1TACR2HRH1CCR5
SCHEMBL9027844 0.96 TACR1 (0.61) TACR1TACR2HRH1CCR5
SCHEMBL8884469 0.96 TACR1 (0.61) TACR1TACR2HRH1CCR5
SCHEMBL9026225 0.94 TACR1 (0.56) TACR1TACR2HRH1CCR5
SCHEMBL9026211 0.94 TACR1 (0.56) TACR1TACR2HRH1CCR5
SCHEMBL9027997 0.93 TACR1 (0.56) TACR1TACR2HRH1
SCHEMBL9027933 0.92 TACR1 (0.65) TACR1TACR2HRH1CCR5
SCHEMBL9027942 0.92 TACR1 (0.65) TACR1TACR2HRH1CCR5
SCHEMBL9027371 0.91 TACR1 (0.53) TACR1TACR2HRH1CCR5

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-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed