SCHEMBL2154177

SCHEMBL2154177

CCC(=O)Nc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ADORA3 P0DMS8 8/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
ADORA2B P29275 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR1F P30939 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL8425212 0.79
SCHEMBL26790019 0.77 HPGD (0.42) HSD17B10LMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL21316684 0.77 NPC1 (0.33) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5508165 0.75
SCHEMBL12777980 0.74 TSHR (0.42) HSD17B10ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1936517 0.74 FAAH (0.48) L3MBTL1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4483981 0.71
SCHEMBL28242146 0.70 GSK3B (0.43) LMNAL3MBTL1MAPK1KDM4E
SCHEMBL4425197 0.70 HSD17B10 (0.47) HSD17B10ADORA3ADORA2AADORA1ADORA2B
SCHEMBL333702 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023207875-A1 CDK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2023-11-02 WO claimed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP claimed
WO-2023207875-A1 CDK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2023-11-02 WO disclosed
EP-2970321-A2 BUPRENORPHINE ANALOGS Purdue Pharma LP (US) 2016-01-20 EP disclosed
WO-2014140784-A2 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2014-09-18 WO disclosed
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
CN-100422161-C Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMA CO (JP) 2008-10-01 CN disclosed
CN-1656084-A Hydroxymorpholone derivative and medical application thereof SENJU PHARMA CO (JP) 2005-08-17 CN disclosed