SCHEMBL22300261

SCHEMBL22300261

CC(CC1CCNCC1)NC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
CTSK P43235 1/20 0.38
ALOX15 P16050 2/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
F2R P25116 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
NPC1 O15118 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
SCHEMBL4064294 0.84 CPN1 (0.49) CPN1CPB2CTSKALOX15ANPEP
SCHEMBL4234207 0.77 CPN1 (0.47) CPN1CPB2ALOX15ANPEPERAP2
Hydrochloric Acid SCHEMBL6229687 0.75 CPN1 (0.46) CPN1CPB2ALOX15ANPEPERAP2
SCHEMBL4491138 0.73 ITGB3 (0.42) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL27819298 0.72 CPN1 (0.44) CPN1CPB2CTSKALOX15ANPEP
SCHEMBL1797700 0.71 CPN1 (0.49) CPN1CPB2ALOX15ANPEPERAP2
SCHEMBL1797702 0.71 CPN1 (0.49) CPN1CPB2ALOX15ANPEPERAP2
SCHEMBL21334736 0.71 CPN1 (0.58) CPN1CPB2ALOX15ITGB3ITGA2B
SCHEMBL13406394 0.71 CPN1 (0.58) CPN1CPB2ALOX15ITGB3ITGA2B
SCHEMBL6189242 0.70 CPN1 (0.53) CPN1CPB2ALOX15ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160333-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-06 WO disclosed