SCHEMBL6204520

SCHEMBL6204520

C=CCN(CC=C)CCN1CCCN(CC)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL6365391 0.74 PER2 (0.46) PER2CRY2
SCHEMBL10416543 0.70 PER2 (0.42) PER2CRY2
SCHEMBL24822290 0.70 PER2 (0.39) PER2CRY2
SCHEMBL20912198 0.70 KDM4E (0.39) PER2DRD2DRD3KCNH2BCHE
SCHEMBL9126352 0.69 KDM4E (0.41) DRD2DRD3KCNH2
SCHEMBL9632685 0.69 SIGMAR1 (0.32) SIGMAR1
SCHEMBL8854156 0.68 PER2 (0.41) PER2CRY2
SCHEMBL27797024 0.68 CYP3A4 (0.38) PER2CRY2
SCHEMBL4601321 0.67 ALOX5 (0.44) PER2BCHEACHE
SCHEMBL11934366 0.67 PER2 (0.42) PER2CRY2

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-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed