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SCHEMBL27720805

SCHEMBL27720805

CC(C)(C)OC(=O)n1c(-c2cc(OCCCN3CCCC3CO)c(Cl)c3c2[C@@H](C(=O)[C@H]2NCc4c(Cl)c(OCCCN5CCCC5CO)cc(-c5cc6cc(CN7CCCCC7)ccc6n5C(=O)OC(C)(C)C)c42)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.31
▸ ACHE P22303 1/20 0.30
▸ NR1H2 P55055 1/20 0.30

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
SCHEMBL27700295 0.90 HRH3 (0.42) HRH3ACHE
SCHEMBL28772335 0.89 HRH3 (0.41) HRH3ACHE
SCHEMBL28943660 0.89 HRH3 (0.38) HRH3ACHE
SCHEMBL3048852 0.87 HRH3 (0.32) HRH3ACHENR1H2
SCHEMBL3048856 0.87 HRH3 (0.32) HRH3ACHENR1H2
SCHEMBL5133879 0.87 HRH3 (0.33) HRH3ACHENR1H2
SCHEMBL27700218 0.86 NR1H2 (0.33) HRH3NR1H2
SCHEMBL27700205 0.85 HRH3 (0.35) HRH3NR1H2
SCHEMBL28943842 0.85 NR1H2 (0.35) NR1H2
SCHEMBL28772263 0.84 ABCB1 (0.34) —

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
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 — — CN disclosed