SCHEMBL7698015

SCHEMBL7698015

O=C1c2cccnc2CN1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CHRM1 P11229 1/20 0.44
CASP3 P42574 1/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
GAA P10253 2/20 0.43
APAF1 O14727 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7692116 0.85 DHPS (0.55) CA12CA9ALDH1A1CHRM1CASP3
SCHEMBL30059278 0.81 NPC1 (0.52) CA12CA9CHRM1MAPTRAB9A
SCHEMBL20324958 0.78 MAPT (0.50) CA12CA9CHRM1MAPTRAB9A
SCHEMBL15757029 0.78 CHRM1 (0.47) ALDH1A1CHRM1MAPTRAB9ASMN1; SMN2
SCHEMBL12204885 0.78 CHRM1 (0.50) CHRM1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14353465 0.78 PDE10A (0.53) CHRM1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL21162380 0.77 NPC1 (0.55) CA12CA9CHRM1MAPTRAB9A
SCHEMBL29427924 0.77 ALOX15 (0.65) ALDH1A1CASP3MAPTRAB9ASMN1; SMN2
SCHEMBL741365 0.77 ALOX15 (0.65) ALDH1A1CASP3MAPTRAB9ASMN1; SMN2
SCHEMBL30058616 0.77 NPC1 (0.55) CA12CA9CHRM1MAPTRAB9A

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
WO-2002018381-A1 6,7-DIHYDRO-PYRROLO[3,4-B]PYRIDIN-5-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2002-03-07 WO claimed
WO-2002018381-A1 6,7-DIHYDRO-PYRROLO[3,4-B]PYRIDIN-5-ONES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2002-03-07 WO disclosed