SCHEMBL8091022

SCHEMBL8091022

NCCCCc1csc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.51
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ATM Q13315 1/20 0.49
MAOA P21397 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.46
NOS1 P29475 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL14736420 0.88 LMNA (0.56) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL8088081 0.87 HRH1 (0.51) LMNARAB9AKDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL17261485 0.87 LMNA (0.55) LMNARAB9AKDM4EDRD2DRD4
Hydrochloric Acid SCHEMBL17261571 0.87 LMNA (0.55) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL2096394 0.84 LMNA (0.52) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL27629615 0.84 LMNA (0.59) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL8086775 0.84 KDM4E (0.57) LMNARAB9AKDM4ESMN1; SMN2ATM
SCHEMBL2092821 0.83 LMNA (0.51) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL27482174 0.83 LMNA (0.58) LMNARAB9AKDM4EDRD2DRD4
SCHEMBL3372534 0.82 LMNA (0.54) LMNARAB9AKDM4EDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed