SCHEMBL16796014

SCHEMBL16796014

NC(=O)C(O)C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
CPN1 P15169 2/20 0.36
CPB2 Q96IY4 2/20 0.36
SLC6A1 P30531 4/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
SLC6A12 P48065 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRR1 P24046 1/20 0.35
EPHX1 P07099 2/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19532417 0.87 CPN1 (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1802274 0.87 CPN1 (0.42) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL22776079 0.81 CPN1 (0.46) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL9289911 0.81 CPN1 (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL4592868 0.81 KDM4E (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL13713582 0.79 SLC6A1 (0.39) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL29496835 0.78 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL17560474 0.76 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6913823 0.76 CPN1 (0.34) CPN1CPB2SLC6A1SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL30948839 0.76 KDM4E (0.37) 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-3080602-A2 TREATING NEURODEGENERATIVE DISEASE The Brigham and Women's Hospital, Inc. (US) 2016-10-19 EP disclosed
WO-2015089443-A2 TREATING NEURODEGENERATIVE DISEASE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-06-18 WO disclosed