SCHEMBL7466823

SCHEMBL7466823

CC(C)(C)OC(=O)Nc1cccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
ACKR3 P25106 1/20 0.48
DRD2 P14416 5/20 0.48
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
PARP1 P09874 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.43
CCR5 P51681 1/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
JAK1 P23458 1/20 0.42
MCHR1 Q99705 1/20 0.42
AKT1 P31749 1/20 0.42

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
SCHEMBL7660248 0.93 KCNA3 (0.47) KCNA3ACKR3DRD2CKS1BSKP1
Formic Acid SCHEMBL7668346 0.89 KCNA3 (0.44) KCNA3ACKR3DRD2CKS1BSKP1
SCHEMBL7840790 0.87 CHRM2 (0.59) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL465844 0.87 CDK5 (0.48) ACKR3DRD2KMT2ANAMPTCDK5
SCHEMBL7960557 0.86 KCNA3 (0.50) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL7951883 0.86 CHRM2 (0.52) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL1419656 0.84 CXCR4 (0.53) CDK5CDK5R1AKT1
SCHEMBL14880061 0.82 CNR1 (0.44) ACKR3DRD2CHRM2CHRM1CHRM3
SCHEMBL7078816 0.81 DRD4 (0.58) KCNA3DRD2CKS1BSKP1SKP2
SCHEMBL7471627 0.80 CHRM2 (0.74) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed