SCHEMBL5301101

SCHEMBL5301101

C=CC[N]c1cnc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 5/20 0.36
GPR3 P46089 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 3/20 0.35
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL9237384 0.73 PDE10A (0.50) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL299951 0.71 ADRA2A (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3680526 0.70 ALDH1A1 (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL989154 0.69 PDE10A (0.62) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL29459379 0.67 PDGFRB (0.54) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL896448 0.66 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL9704361 0.66 ALDH1A1 (0.43) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL27796937 0.66 PDE10A (0.42) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL9307802 0.66 ALDH1A1 (0.43) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL13954346 0.66 PDE10A (0.42) PDE10AMAPTMEN1KMT2AKDM4E

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-1832586-A1 Thiazole-piperidine derivatives in treatment of diseases of liver and the pancreas Oridis Biomed Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP claimed
EP-1832586-A1 Thiazole-piperidine derivatives in treatment of diseases of liver and the pancreas Oridis Biomed Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP disclosed