SCHEMBL29490608

SCHEMBL29490608

CCN1CCC(n2ccc(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
DRD2 P14416 4/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
LRRK2 Q5S007 1/20 0.36
JAK1 P23458 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A4 P31645 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL27773575 0.82 KMT2A (0.46) KMT2ADRD2DRD4DRD3LRRK2
SCHEMBL15034177 0.82
SCHEMBL17001832 0.81 GAA (0.41) DRD2DRD4DRD3HTR2AHRH1
SCHEMBL22781479 0.80 SIGMAR1 (0.44) DRD2HTR2AHRH1HRH3SIGMAR1
SCHEMBL10049903 0.78 SIGMAR1 (0.39) TP53ALDH1A1SIGMAR1
SCHEMBL16969326 0.78 SIGMAR1 (0.36) TP53ALDH1A1SIGMAR1
SCHEMBL27364240 0.78 DRD2 (0.36) DRD2DRD4DRD3HTR2AHRH1
SCHEMBL27367010 0.78 CACNA2D1 (0.38) DRD2DRD4DRD3HTR2AHRH1
SCHEMBL10049902 0.77 SIGMAR1 (0.41) KMT2ATP53ALDH1A1SIGMAR1
SCHEMBL15448695 0.75 TP53 (0.33) KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966206-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-03-16 EP claimed
EP-3966206-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2022-03-16 EP disclosed