SCHEMBL3233223

SCHEMBL3233223

NCCc1ccc(CCN2CCC(OC(=O)Nc3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.65
CHRM3 P20309 12/20 0.57
CCR3 P51677 1/20 0.57
ACHE P22303 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL3228315 0.85 CHRM3 (0.81) CHRM3
SCHEMBL6609638 0.81 BCHE (0.64) BCHECCR3ACHEMAOB
SCHEMBL28171857 0.81 BCHE (0.70) BCHECHRM3CCR3ACHEMAOB
SCHEMBL3233221 0.79 TPSAB1 (0.49) BCHECHRM3
SCHEMBL12890021 0.76 BCHE (0.69) BCHECHRM3CCR3ACHEMAOB
SCHEMBL5175918 0.76 RAB9A (0.54) BCHEACHEMAOB
Hydrochloric Acid SCHEMBL9049915 0.76 CHRM3 (0.77) CHRM3
SCHEMBL6612491 0.75 BCHE (0.56) BCHECCR3MAOB
SCHEMBL28171210 0.75 BCHE (0.62) BCHECHRM3CCR3ACHE
SCHEMBL5709472 0.75 HTR2A (0.50) CHRM3ACHE

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
WO-2010007561-A1 NOVEL COMPOUNDS ACTIVE AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2010-01-21 WO disclosed