SCHEMBL4754549

SCHEMBL4754549

CC(=O)C(=O)C1CCCNC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
CYP2D6 P10635 1/20 0.64
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 1/20 0.53
APLNR P35414 2/20 0.39
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALOX15 P16050 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 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
SCHEMBL4630540 0.83 KDM4E (0.70) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL14500149 0.83
SCHEMBL1764477 0.83
SCHEMBL14500148 0.83
SCHEMBL19816093 0.81 SLC6A1 (0.69) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL29806287 0.81 SLC6A1 (0.63) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4756224 0.80 KDM4E (0.66) KDM4EMAPTKMT2AATMCYP2D6
Nipecotic Acid SCHEMBL27583838 0.79 SLC6A1 (0.88) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6987082 0.79 SLC6A1 (0.55) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4757302 0.79 SLC6A1 (0.55) 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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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