SCHEMBL6984252

SCHEMBL6984252

OC1C2CCC1C(Cc1ccccn1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.38
SLC18A3 Q16572 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLS O94925 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7893289 0.76 KDM4E (0.39) KDM4ENPC1LTB4RLTB4R2SMN1; SMN2
SCHEMBL7893294 0.75 ALDH1A1 (0.38) KDM4ELTB4RLTB4R2SMN1; SMN2GLS
SCHEMBL28953834 0.72 HPGD (0.43) NPC1SLC18A3SMN1; SMN2GLSHPGD
SCHEMBL29950596 0.72 HPGD (0.43) NPC1SLC18A3SMN1; SMN2GLSHPGD
SCHEMBL8094726 0.71 HRH3 (0.43) LTB4RLTB4R2SMN1; SMN2KDM1AMAOA
SCHEMBL8091807 0.71 HRH3 (0.43) LTB4RLTB4R2SMN1; SMN2KDM1AMAOA
SCHEMBL16269835 0.71 HRH3 (0.43) LTB4RLTB4R2SMN1; SMN2KDM1AMAOA
SCHEMBL3423813 0.70 HRH3 (0.38) KDM4ENPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1515445 0.68 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2GLSMAOAMAOB
SCHEMBL11541050 0.68 CYP19A1 (0.40) LTB4RLTB4R2SMN1; SMN2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189902-B1 7-OXO-2-AZABICYCLO[2.2.1]HEPTANES AS SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST LILLY CO ELI (US) 2003-08-27 EP claimed
EP-1189902-B1 7-OXO-2-AZABICYCLO[2.2.1]HEPTANES AS SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST LILLY CO ELI (US) 2003-08-27 EP disclosed
US-6559171-B1 Muscarinic receptor modulators 7-oxo-2-azabicyclo(2.2.1)heptanes of formula (I) which are useful for the treatment of various diseases and conditions, for example, Alzheimer's disease, glaucoma, psychosis, ELI LILLY AND COMPANY 2003-05-06 US disclosed