SCHEMBL6984398

SCHEMBL6984398

c1ccc(COc2nsnc2OC2C3CCC2NC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A4 P31645 4/20 0.37
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.34
CHRM1 P11229 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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 SCHEMBL6987919 0.99 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL6982712 0.82 CHRM1 (0.38) CHRM1
SCHEMBL6986211 0.82 CHRM1 (0.38) CHRM1
Hydrochloric Acid SCHEMBL6990614 0.79 CHRM1 (0.30) CHRM1
SCHEMBL6987593 0.77 CHRM1 (0.39) CHRM1
Hydrochloric Acid SCHEMBL6987410 0.76 CHRM1 (0.37) SLC6A4HTR2CHTR2BCHRM1
SCHEMBL6981312 0.75 CHRM1 (0.43) CHRM1
SCHEMBL6983586 0.74 CHRM1 (0.36) CHRM1
SCHEMBL6987069 0.73 CHRM1 (0.30) CHRM1
SCHEMBL6984430 0.70 CHRM1 (0.53) CHRM1

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 2 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
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 claimed