SCHEMBL9014339

SCHEMBL9014339

COc1ccc(C2CCN(C(=O)CC3CCNc4ccccc43)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.46
KCNH2 Q12809 2/20 0.44
QDPR P09417 1/20 0.44
LMNA P02545 1/20 0.44
ADAM17 P78536 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL9014397 0.89 PDE4B (0.44) PDE4BQDPRLMNAADAM17ADAMTS5
SCHEMBL9014384 0.88 ADAM17 (0.47) PDE4BQDPRLMNAADAM17ADAMTS5
SCHEMBL9233397 0.85 ADAM17 (0.47) PDE4BKCNH2QDPRLMNAADAM17
SCHEMBL9014711 0.83 PTGDR2 (0.51) PDE4BKCNH2QDPRADAM17ADAMTS5
SCHEMBL9014710 0.82 PTGDR2 (0.52) PDE4BQDPR
SCHEMBL9015280 0.81 KCNH2 (0.66) KCNH2QDPR
SCHEMBL9014309 0.80 KCNH2 (0.59) PDE4BKCNH2QDPR
SCHEMBL9014717 0.74 ABCB1 (0.48) PDE4BQDPR
SCHEMBL9014334 0.72 KCNH2 (0.46) PDE4BKCNH2QDPRLMNAADAM17
SCHEMBL7662136 0.72 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5495022-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed
EP-0634398-A1 4-Phenylpiperidinyl-1/-piperazinyl-1-ethylsubstituted benzofusedheterocycles as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-01-18 EP disclosed