SCHEMBL30079352

SCHEMBL30079352

CC(C)(C)OC(=O)NC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
DRD2 P14416 6/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KCNA3 P22001 1/20 0.42
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAMPT P43490 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PARP1 P09874 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL12068465 0.85 CKS1B (0.48) CKS1BSKP1SKP2DRD2ALDH1A1
SCHEMBL4443676 0.84 DRD2 (0.47) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL38659368 0.84 MAPT (0.50) ALDH1A1LMNAMAPTTDP1KMT2A
SCHEMBL27148465 0.84 CKS1B (0.49) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL3955951 0.84 CKS1B (0.52) CKS1BSKP1SKP2DRD2ALDH1A1
SCHEMBL30079446 0.83 DRD2 (0.54) CKS1BSKP1SKP2DRD2ALDH1A1
SCHEMBL30079399 0.83 CKS1B (0.48) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL30079575 0.83 CKS1B (0.48) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL30079043 0.82 CKS1B (0.48) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL30079499 0.81 CKS1B (0.47) CKS1BSKP1SKP2DRD2KCNA3

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-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed