SCHEMBL1729030

SCHEMBL1729030

O=C(O)NCC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 10/20 0.55
SKP1 P63208 10/20 0.55
SKP2 Q13309 10/20 0.55
CHRM4 P08173 1/20 0.47
GRIN2B Q13224 1/20 0.47
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
SCD O00767 1/20 0.45
KDM1A O60341 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DGAT1 O75907 2/20 0.44
ADORA2A P29274 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDO2 P48775 1/20 0.44
CETP P11597 2/20 0.44

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
SCHEMBL14796957 0.93 CKS1B (0.48) CKS1BSKP1SKP2CHRM4GRIN2B
SCHEMBL1728812 0.91 CKS1B (0.56) CKS1BSKP1SKP2CETP
SCHEMBL1711018 0.89 CHRM4 (0.57) CKS1BSKP1SKP2CHRM4HTR1A
SCHEMBL16174433 0.84 GRM1 (0.43) CKS1BSKP1SKP2GRIN2BHTR1A
SCHEMBL16174434 0.84 GRM1 (0.43) CKS1BSKP1SKP2GRIN2BHTR1A
SCHEMBL3269094 0.83 CKS1B (0.47) CKS1BSKP1SKP2CHRM4GRIN2B
SCHEMBL1729788 0.82 TDO2 (0.53) CKS1BSKP1SKP2GRIN2BHTR1A
SCHEMBL3723104 0.82 GRIN2B (0.40) CKS1BSKP1SKP2GRIN2BHTR1A
SCHEMBL1729621 0.82 CKS1B (0.51) CKS1BSKP1SKP2
SCHEMBL1727740 0.81 CKS1B (0.47) CKS1BSKP1SKP2CHRM4CETP

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed