SCHEMBL6981083

SCHEMBL6981083

c1ccc(CCOc2nsnc2OC2C3CCC2NC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2B P41595 2/20 0.34
HTR6 P50406 2/20 0.34
MPO P05164 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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 SCHEMBL6986723 0.99 CHRM1 (0.37) CHRM1SMN1; SMN2HTR2CSLC6A4HTR2B
SCHEMBL6984398 0.88 ALDH1A1 (0.42) CHRM1HTR2CSLC6A4HTR2BALDH1A1
Hydrochloric Acid SCHEMBL6987919 0.87 ALDH1A1 (0.41) CHRM1HTR2CSLC6A4HTR2BALDH1A1
Hydrochloric Acid SCHEMBL6987410 0.85 CHRM1 (0.37) CHRM1HTR2CSLC6A4HTR2B
SCHEMBL6982712 0.84 CHRM1 (0.38) CHRM1SMN1; SMN2
SCHEMBL6981312 0.78 CHRM1 (0.43) CHRM1
SCHEMBL6983586 0.77 CHRM1 (0.36) CHRM1
SCHEMBL9170970 0.60 DRD3 (0.41) CHRM1HTR2CSLC6A4HTR2BHTR6
SCHEMBL9170960 0.60 DRD3 (0.41) CHRM1HTR2CSLC6A4HTR2BHTR6
SCHEMBL18986887 0.54 BCHE (0.48) HTR2CSLC6A4

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