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SCHEMBL9028111

SCHEMBL9028111

Cc1ccc(C2(CCN3CCC(N4CCCCC4)CC3)CCCNC(C(=O)Cc3cccc(OC(C)C)c3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.42
▸ TACR2 P21452 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH1 P35367 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9027525 0.95 TACR1 (0.43) TACR1TACR2HRH1NPSR1KDM4E
SCHEMBL9027860 0.93 TACR1 (0.41) TACR1TACR2HRH3HRH1KDM4E
SCHEMBL9028179 0.92 TACR1 (0.41) TACR1TACR2HRH3HRH1
SCHEMBL9028133 0.91 TACR1 (0.41) TACR1TACR2HRH3HRH1CYP2D6
SCHEMBL9028147 0.91 TACR1 (0.50) TACR1TACR2
SCHEMBL9027893 0.91 TACR1 (0.41) TACR1TACR2HRH3HRH1KDM4E
SCHEMBL9027969 0.91 TACR1 (0.41) TACR1TACR2HRH3HRH1
SCHEMBL9028039 0.90 TACR1 (0.44) TACR1TACR2HRH3HRH1KDM4E
SCHEMBL9028158 0.90 TACR1 (0.44) TACR1TACR2HRH3HRH1
SCHEMBL9027834 0.89 TACR1 (0.39) TACR1TACR2HRH3HRH1KDM4E

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