SCHEMBL9217631

SCHEMBL9217631

c1coc(N2CCC[N]2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 7/20 0.35
CHRM3 P20309 7/20 0.35
CHRM2 P08172 6/20 0.35
CHRM4 P08173 6/20 0.35
CHRM1 P11229 6/20 0.35
GFER P55789 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTAFR P25105 1/20 0.31
MAPK1 P28482 1/20 0.30
NISCH Q9Y2I1 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
Hydrogen Sulfide SCHEMBL28950276 0.73 GFER (0.33) GFERPTAFRNISCH
SCHEMBL10686037 0.69 TP53 (0.32) GFER
SCHEMBL761104 0.69
SCHEMBL3349858 0.69 ALDH1A1 (0.41) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL4721848 0.67 MAPT (0.42) RAB9AHSD17B10MAPK1
SCHEMBL4607483 0.67 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2HSD17B10MAPK1
SCHEMBL11354407 0.67 TP53 (0.34) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL27617462 0.65 PTAFR (0.31) GFERPTAFRNISCH
SCHEMBL28143517 0.61 PRKDC (0.53) ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL40342 0.60 TNKS (0.35) ALDH1A1RAB9ASMN1; SMN2HSD17B10

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-0660833-A1 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO 2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-05 EP claimed