SCHEMBL6987451

SCHEMBL6987451

Brc1ccc(OCCOc2nsnc2OC2C3CCC2NC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.39
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
RECQL P46063 1/20 0.32
MAOB P27338 2/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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 SCHEMBL7216667 0.99 CHRM1 (0.39) CHRM1PTGS1PTGS2KDM4ETDP1
SCHEMBL6988257 0.82 CHRM1 (0.59) CHRM1
SCHEMBL6980919 0.80 CHRM1 (0.48) CHRM1
SCHEMBL6981312 0.77 CHRM1 (0.43) CHRM1
SCHEMBL6982103 0.76 CHRM1 (0.38) CHRM1
SCHEMBL6985817 0.76 CHRM1 (0.35) CHRM1
SCHEMBL6984398 0.76 ALDH1A1 (0.42) CHRM1MAOBMAPK1
Hydrochloric Acid SCHEMBL6987410 0.75 CHRM1 (0.37) CHRM1
Hydrochloric Acid SCHEMBL6987919 0.75 ALDH1A1 (0.41) CHRM1MAOBMAPK1
SCHEMBL6986177 0.74 SLC6A4 (0.34) CHRM1PTGS1PTGS2MAPK1

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