SCHEMBL4795029

SCHEMBL4795029

CN1CCC(Oc2cccc(CNC(=O)c3ccccc3Cc3ccccc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.58
SCN2A Q99250 2/20 0.58
SCN3A Q9NY46 2/20 0.58
HRH1 P35367 3/20 0.53
SLC5A7 Q9GZV3 2/20 0.48
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
APEX1 P27695 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRK1 P41145 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL4934208 0.86 SLC5A7 (0.54) HRH1SLC5A7ALDH1A1MEN1KMT2A
SCHEMBL22130619 0.83 SLC5A7 (0.55) HRH1SLC5A7MEN1KMT2AOPRK1
SCHEMBL4930039 0.82 MAPK14 (0.58) SLC5A7HPGDALDH1A1MEN1KMT2A
SCHEMBL4666647 0.82 SLC5A7 (0.54) SCN1ASCN2ASCN3ASLC5A7RAB9A
SCHEMBL4933296 0.81 SLC5A7 (0.60) SLC5A7RAB9AMEN1KMT2AOPRK1
SCHEMBL4933614 0.80 LMNA (0.53) SLC5A7MEN1KMT2ALMNAKDM1A
SCHEMBL14026961 0.79 SLC5A7 (0.54) SLC5A7HPGDALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4664680 0.78 SLC5A7 (0.53) SLC5A7HPGDALDH1A1MEN1KMT2A
SCHEMBL14026963 0.78 LMNA (0.64) SLC5A7RAB9AHPGDMEN1KMT2A
SCHEMBL4235922 0.77 HIF1A (0.47) SLC5A7KDM4EMEN1KMT2AOPRK1

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-1891065-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006130075-A1 NOVEL MCHR1 ANTAGONISTS AND THEIR USE FOR THE TREATMENT OF MCHR1 MEDIATED CONDITIONS AND DISORDERS ASTRAZENECA AB (SE) 2006-12-07 WO claimed