SCHEMBL4630540

SCHEMBL4630540

NC(=O)C(=O)C1CCCNC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
MAPT P10636 1/20 0.70
KMT2A Q03164 1/20 0.70
ATM Q13315 1/20 0.70
CYP2D6 P10635 1/20 0.70
SLC6A1 P30531 2/20 0.61
TSHR P16473 2/20 0.61
SLC6A11 P48066 1/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLC6A13 Q9NSD5 1/20 0.61
NOS2 P35228 2/20 0.59
APLNR P35414 2/20 0.44
ULK1 O75385 1/20 0.36
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GLI1 P08151 1/20 0.35
TNKS O95271 1/20 0.34

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
SCHEMBL4756224 0.88 KDM4E (0.66) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4630912 0.87 KDM4E (0.52) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4754549 0.83 KDM4E (0.64) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL440540 0.83
SCHEMBL1405881 0.83
SCHEMBL1970431 0.83
SCHEMBL19816093 0.81 SLC6A1 (0.69) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL3303102 0.81 KDM4E (0.96) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL2144598 0.81 KDM4E (0.96) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL2144603 0.81 KDM4E (0.96) 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 4 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
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed