SCHEMBL8091093

SCHEMBL8091093

NCCCCc1csc(-c2ccccn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 8/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
GFER P55789 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CYP19A1 P11511 1/20 0.44
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
NPC1 O15118 3/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL8656611 0.86 PDE10A (0.51) HRH1PDE10AKDM4ERAB9AALDH1A1
SCHEMBL1205231 0.86 PDE10A (0.55) PDE10AKDM4ERAB9AALDH1A1MAPK1
SCHEMBL27526928 0.84 PDE10A (0.53) PDE10AKDM4ERAB9AALDH1A1MAPK1
SCHEMBL8091022 0.79 LMNA (0.52) KDM4ERAB9AMAPTHSD17B10NPC1
SCHEMBL8079751 0.77 LMNA (0.55) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL8234751 0.77 PDE10A (0.63) PDE10AKDM4ERAB9AALDH1A1MAPK1
SCHEMBL8086835 0.77 PDE10A (0.58) PDE10AKDM4ERAB9AALDH1A1MAPK1
SCHEMBL1893656 0.77 PDE10A (0.58) PDE10AKDM4ERAB9AALDH1A1MAPK1
SCHEMBL8088081 0.76 HRH1 (0.51) HRH1KDM4ERAB9AGFERCYP19A1
SCHEMBL6378638 0.75 PDE10A (0.55) PDE10AKDM4ERAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN claimed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed