SCHEMBL6989372

SCHEMBL6989372

c1ccc(CCOc2nsnc2OC2C3CC[C@H]2NC3)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
SCHEMBL6981083 1.00 CHRM1 (0.38) CHRM1SMN1; SMN2HTR2CSLC6A4HTR2B
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

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 1 patent. 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