SCHEMBL6652322

SCHEMBL6652322

COc1ccnc(N2CCN(C3=NC=C3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.50
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 9/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LCAT P04180 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL30230144 0.81 OGA (0.51) OGA
SCHEMBL28019839 0.81 OGA (0.51) OGA
SCHEMBL28106498 0.81 OGA (0.50) OGAHCRTR1HCRTR2MAPTRAB9A
SCHEMBL28222348 0.80 OGA (0.49) OGAHCRTR1HCRTR2MAPTRAB9A
SCHEMBL3557386 0.78 OGA (0.48) OGAHCRTR1HCRTR2MAPTRAB9A
SCHEMBL17310242 0.78 OGA (0.60) OGAHCRTR1HCRTR2MAPTRAB9A
SCHEMBL14083314 0.78 OGA (0.48) OGAHCRTR1HCRTR2MAPTRAB9A
SCHEMBL2792154 0.77 ADRB1 (0.55) OGAHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5368905 0.76 ALDH1A1 (0.54) OGAHCRTR1HCRTR2MAPT
SCHEMBL6651379 0.75 ACHE (0.53) OGAHCRTR1HCRTR2KMT2A

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-1006110-B1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS ESTEVE LABOR DR (ES) 2004-02-11 EP claimed