SCHEMBL4763290

SCHEMBL4763290

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(F)ccc2F)ncn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.40
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
ACACB O00763 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
CACNA1H O95180 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
CDK4 P11802 2/20 0.33
CDK2 P24941 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
LCK P06239 1/20 0.33
MPL P40238 1/20 0.32
TP53 P04637 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
SCHEMBL4719875 0.94 MKNK1 (0.39) TBK1HTR2CSLC6A4HTR2AACACB
SCHEMBL4722378 0.91 TBK1 (0.37) TBK1ACACBGPR119CACNA1HCDK4
SCHEMBL4722370 0.91 TBK1 (0.39) TBK1HTR2CSLC6A4HTR2AACACB
SCHEMBL4718652 0.91 TBK1 (0.39) TBK1ACACBGPR119CACNA1HCDK4
SCHEMBL4721977 0.90 GPR119 (0.43) TBK1GPR119
SCHEMBL4720580 0.89 TBK1 (0.37) TBK1ACACBGPR119CACNA1HAAK1
SCHEMBL389112 0.89 TBK1 (0.48) TBK1GPR119MKNK1
SCHEMBL4723185 0.88 TBK1 (0.38) TBK1ACACBGPR119MKNK1
SCHEMBL4724082 0.88 TBK1 (0.38) TBK1ACACBGPR119CACNA1HCDK4
SCHEMBL4719500 0.88 ACACB (0.38) TBK1HTR2AACACBGPR119CACNA1H

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
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed