SCHEMBL24724945

SCHEMBL24724945

CC(C)CN1CCC(c2ccc(C(=O)C(C)C)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.43
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 4/20 0.38
DYRK1A Q13627 4/20 0.38
WNT1 P04628 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PARP2 Q9UGN5 2/20 0.37
PARP1 P09874 1/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL24933098 0.89 DRD4 (0.42) DRD4DRD2SMN1; SMN2FASN
SCHEMBL24933097 0.80 NAMPT (0.49) NAMPTDRD2ALDH1A1CYP2D6HRH3
SCHEMBL24724937 0.78 NAMPT (0.47) NAMPTKDM4ESMN1; SMN2GSK3BDYRK1A
SCHEMBL24724941 0.77 KMT2A (0.44) DRD4DRD2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13490363 0.70 FDFT1 (0.48) DRD4DRD2KDM4EHRH3
SCHEMBL24725714 0.69 KMT2A (0.51) KDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL17660282 0.69 MAPK14 (0.52) NAMPTKDM4E
SCHEMBL24725715 0.68 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1HRH3
SCHEMBL24724942 0.68 ESRRG (0.45) DRD2ALDH1A1
SCHEMBL12418685 0.68 P4HTM (0.57) KDM4ESMN1; SMN2

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
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed