SCHEMBL23975712

SCHEMBL23975712

CC(C)(C)NC(O)CN(CCO)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
AGTR1 P30556 1/20 0.35
CFTR P13569 6/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL24702095 0.92 LMNA (0.38) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL25926506 0.85 PDE10A (0.42) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL23975710 0.82 PDE10A (0.40) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL30118843 0.82 PDE10A (0.40) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL23975783 0.81 PDE10A (0.40) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL23975698 0.77 PDE10A (0.37) PDE10AMEN1KMT2ARAB9ACFTR
SCHEMBL23975829 0.77 MAPT (0.33)
SCHEMBL23976578 0.77 MEN1 (0.41) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL30118586 0.77 MEN1 (0.41) PDE10AMEN1KMT2ARAB9ANPC1
SCHEMBL23975799 0.76 PDE10A (0.36) PDE10AMEN1KMT2ARAB9ACFTR

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed