SCHEMBL9027656

SCHEMBL9027656

COc1ccc(C2(CCN3CCN(C4CCCCC4)CC3)CCN(C(=O)Cc3cccc(OC(C)C)c3)C2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.59
TACR2 P21452 4/20 0.59
HRH1 P35367 1/20 0.48

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
SCHEMBL9027648 1.00 TACR1 (0.59) TACR1TACR2HRH1
SCHEMBL9026150 0.96 TACR1 (0.54) TACR1TACR2HRH1
SCHEMBL9026155 0.96 TACR1 (0.54) TACR1TACR2HRH1
SCHEMBL9027391 0.96 TACR1 (0.54) TACR1TACR2HRH1
SCHEMBL8882569 0.94 TACR1 (0.59) TACR1TACR2HRH1
SCHEMBL8882574 0.94 TACR1 (0.59) TACR1TACR2HRH1
SCHEMBL8882524 0.92 TACR1 (0.56) TACR1TACR2HRH1
SCHEMBL8882519 0.92 TACR1 (0.56) TACR1TACR2HRH1
SCHEMBL9026974 0.91 TACR1 (0.54) TACR1TACR2HRH1
SCHEMBL9026982 0.91 TACR1 (0.54) TACR1TACR2HRH1

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