SCHEMBL28330751

SCHEMBL28330751

O=COCc1cnc(N2CCC(CO)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.35
DEGS1 O15121 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
RXRA P19793 1/20 0.34
PDE2A O00408 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4D Q08499 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL28117488 0.79 HRH4 (0.39) HRH3
SCHEMBL24379246 0.77 KCNJ1 (0.40) PDE10ADEGS1MAPK8MAPK10RXRA
SCHEMBL27253445 0.73 HRH3 (0.52) PDE10AMAPK8MAPK10HRH3
SCHEMBL20046932 0.71 HRH3 (0.42) PDE10ARXRAHRH3
SCHEMBL24411118 0.71 PDE10A (0.46) PDE10ADEGS1MAPK8MAPK10RXRA
SCHEMBL28951039 0.70 MAPK14 (0.30)
SCHEMBL24379245 0.70 SMO (0.53) HRH3
SCHEMBL30432036 0.70 SMO (0.53) HRH3
SCHEMBL28330703 0.67 KDM4E (0.55)
SCHEMBL19598739 0.67 HRH3 (0.54) PDE10AHRH3

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
CN-110506039-A Compounds and methods for targeted degradation of androgen receptor ARVINAS INC 2019-11-26 CN disclosed