SCHEMBL4630592

SCHEMBL4630592

CC(=O)C(=O)C1CNCCN1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 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
SCHEMBL19943585 0.82
SCHEMBL2628904 0.82
SCHEMBL27751694 0.82 SLC6A1 (0.31) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL26495534 0.82
Acetic Acid SCHEMBL28060482 0.79 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL5909288 0.77
SCHEMBL869800 0.77
SCHEMBL5328 0.77
SCHEMBL27272783 0.77 SLC6A1 (0.33) KDM4EMAPTKMT2AATMCYP2D6
Piperazine SCHEMBL28120340 0.76 KDM4E (0.42) KDM4EMAPTKMT2AATMCYP2D6

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
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed