SCHEMBL6847792

SCHEMBL6847792

[CH2]C#Cc1cnc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BCHE P06276 1/20 0.38
GAA P10253 2/20 0.37
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5845182 0.79 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL2362132 0.78 GRM5 (0.47) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6852209 0.76 ALDH1A1 (0.41) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL31526085 0.75 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL95119 0.75 ALDH1A1 (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL1999094 0.75 MAPT (0.53) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL6352308 0.75 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL6008088 0.75 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL2747071 0.75 PDE10A (0.47) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL6854919 0.73 GRM5 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed