SCHEMBL4664218

SCHEMBL4664218

CN1CCC(Oc2cccc(CNCC3=CCOO3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 2/20 0.40
UTS2R Q9UKP6 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 2/20 0.37
EP300 Q09472 2/20 0.37
MEF2D Q14814 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
GPX4 P36969 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.35
GLS O94925 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4664214 0.81 SLC5A7 (0.40) SLC5A7UTS2RMEN1KMT2AHDAC4
SCHEMBL4666227 0.79 DRD2 (0.47) SLC5A7UTS2RMEN1KMT2ASMN1; SMN2
SCHEMBL4770681 0.78 SMN1; SMN2 (0.46) SLC5A7UTS2RHDAC4EP300MEF2D
SCHEMBL4664223 0.78 KDM4E (0.58) SLC5A7UTS2RMEN1KMT2AHDAC4
SCHEMBL4227919 0.78 PRMT6 (0.50) SLC5A7UTS2RMEN1KMT2ACDK2
SCHEMBL4770428 0.77 MCHR1 (0.48) MEN1KMT2A
SCHEMBL4666177 0.77 SLC5A7 (0.46) SLC5A7UTS2RMEN1KMT2ACDK2
SCHEMBL3288175 0.72 OPRK1 (0.46) SLC5A7MEN1KMT2AMAOAMAOB
SCHEMBL4232566 0.72 KDM4E (0.43) SLC5A7MEN1KMT2ACDK2CDK9
Hydrochloric Acid SCHEMBL4228960 0.71 SMN1; SMN2 (0.48) SLC5A7MAOAMAOBCARM1PRMT6

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