SCHEMBL11297597

SCHEMBL11297597

Cc1cc(C)c(C2=NCCN2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL22476609 0.87 NISCH (0.55) NISCHHTR1DHTR1BLMNAKDM4E
SCHEMBL5828216 0.72 NISCH (0.49) NISCHHTR1DLMNA
SCHEMBL30982282 0.72 NISCH (0.58) NISCHHTR1DKDM4E
SCHEMBL11516541 0.70 NISCH (0.66) NISCHLMNA
SCHEMBL5827257 0.68 NISCH (0.53) NISCH
SCHEMBL4389092 0.66 NISCH (0.49) NISCHHTR1DHTR1B
SCHEMBL23902200 0.65 NISCH (0.68) NISCHHTR1DLMNA
SCHEMBL3742115 0.65 NISCH (0.56) NISCHLMNA
SCHEMBL16275243 0.64 NISCH (0.60) NISCHLMNAKDM4E
SCHEMBL1886692 0.64 NISCH (1.00) NISCHHTR1DLMNA

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-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed