Sugi Predict

Sugi Predict / Compounds / SCHEMBL27700205

SCHEMBL27700205

SCHEMBL27700205

CCN(CCO)CCCOc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2C(=O)C1NCc2c(Cl)c(OCCCN(CC)CCO)cc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.35
▸ NR1H2 P55055 2/20 0.32

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
SCHEMBL28943660 0.87 HRH3 (0.38) HRH3
SCHEMBL3046868 0.87 HRH3 (0.36) HRH3NR1H2
SCHEMBL27700218 0.86 NR1H2 (0.33) HRH3NR1H2
SCHEMBL27700295 0.86 HRH3 (0.42) HRH3
SCHEMBL28772335 0.86 HRH3 (0.41) HRH3
SCHEMBL28943842 0.85 NR1H2 (0.35) NR1H2
SCHEMBL27720805 0.85 HRH3 (0.31) HRH3NR1H2
SCHEMBL28772263 0.84 ABCB1 (0.34) —
SCHEMBL28768677 0.84 NR1H2 (0.34) HRH3NR1H2
SCHEMBL27720924 0.84 NR1H2 (0.35) NR1H2

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