SCHEMBL8088086

SCHEMBL8088086

NCCCCn1cnc2cncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.48
LTA4H P09960 1/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ADORA2A P29274 4/20 0.38
ADCY5 O95622 3/20 0.35
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2C9 P11712 3/20 0.34
USP2 O75604 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
ADORA1 P30542 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11249434 0.95 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A
Iodide SCHEMBL28673349 0.87 FDPS (0.50) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8656700 0.84 FDPS (0.48) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL3691691 0.84 FDPS (0.48) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL5017550 0.83 FDPS (0.50) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8649807 0.83 FDPS (0.47) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8464130 0.83 FDPS (0.50) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL6950642 0.82 ADORA2A (0.53) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL7102528 0.82 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL5017010 0.82 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A

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-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
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