SCHEMBL23986910

SCHEMBL23986910

CN(CC(O)NCc1ccccn1)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.46
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.37
CFTR P13569 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23976572 0.85 PDE10A (0.44) PDE10AKDM4ENPC1RAB9ACFTR
SCHEMBL23986871 0.83 PDE10A (0.41) PDE10ANPC1RAB9ACFTRMEN1
SCHEMBL25926506 0.83 PDE10A (0.42) PDE10ANPC1RAB9ACFTRMEN1
SCHEMBL23975783 0.82 PDE10A (0.40) PDE10ANPC1RAB9ACFTRMEN1
SCHEMBL30118760 0.82 PDE10A (0.49) PDE10ABCHEACHEKDM4ENPC1
SCHEMBL23976150 0.82 PDE10A (0.49) PDE10ABCHEACHEKDM4ENPC1
SCHEMBL30118661 0.81 PDE10A (0.50) PDE10AALOX15MEN1ALDH1A1KMT2A
SCHEMBL23975642 0.81 PDE10A (0.50) PDE10AALOX15MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL30225329 0.81 PDE10A (0.48) PDE10ABCHEACHEKDM4ENPC1
SCHEMBL23986773 0.79 PDE10A (0.40) PDE10AKDM4ECFTRCYP1A2

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-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed