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SCHEMBL7846900

SCHEMBL7846900

CC(=O)N1CCC(CCCc2noc3cc4c(cc23)N(C(=O)C(F)(F)F)CCCC4)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.38
▸ BCHE P06276 8/20 0.35
▸ CYP11B2 P19099 4/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 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
SCHEMBL7838268 0.84 ACHE (0.39) ACHEBCHEDRD2HTR2AHTR7
SCHEMBL7850648 0.84 ACHE (0.36) ACHEBCHEDRD2HTR2AHTR7
SCHEMBL7843672 0.78 ACHE (0.41) ACHEBCHE
SCHEMBL7838356 0.78 ACHE (0.38) ACHEBCHE
SCHEMBL7850298 0.73 ACHE (0.54) ACHEBCHE
Hydrochloric Acid SCHEMBL7838225 0.73 ACHE (0.53) ACHEBCHE
SCHEMBL7847330 0.72 GPR119 (0.33) CYP11B2GPR119
SCHEMBL7847331 0.72 GPR119 (0.33) CYP11B2GPR119
SCHEMBL9411408 0.65 ACHE (0.66) ACHEBCHE
SCHEMBL9411304 0.65 ACHE (0.45) ACHEBCHE

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-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 — — EP disclosed
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