SCHEMBL8548303

SCHEMBL8548303

c1cc2c3c(c1)nc(N1CCSCC1)n3CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 2/20 0.39
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
CFTR P13569 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 1/20 0.33
HKDC1 Q2TB90 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
Hydrochloric Acid SCHEMBL8549627 0.99 RAB9A (0.44) RAB9ANPC1MAPTMCL1HSD17B10
SCHEMBL8548519 0.88 MAPT (0.47) RAB9ANPC1MAPTMCL1HSD17B10
Hydrochloric Acid SCHEMBL8550810 0.87 MAPT (0.46) RAB9ANPC1MAPTMCL1HSD17B10
SCHEMBL8543289 0.86 NPC1 (0.45) RAB9ANPC1MAPT
SCHEMBL2962557 0.84 HTR2C (0.44) RAB9ANPC1MAPTHSD17B10ALDH1A1
SCHEMBL8544700 0.84 MAPT (0.44) RAB9ANPC1MAPTMCL1HSD17B10
Hydrochloric Acid SCHEMBL8544100 0.83 CDK8 (0.45) RAB9ANPC1MAPTHSD17B10ALDH1A1
SCHEMBL8544059 0.83 MAPT (0.44) RAB9ANPC1MAPTMCL1HSD17B10
SCHEMBL8543387 0.82 HRH1 (0.45) RAB9ANPC1MAPT
SCHEMBL8542828 0.81 MAPT (0.42) RAB9ANPC1MAPTMCL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700913-B1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP claimed
US-5500423-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-19 US claimed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP claimed
EP-0700913-B1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP disclosed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP disclosed