SCHEMBL9682068

SCHEMBL9682068

O=C1CCCCC1(Cc1ccccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
OPRL1 P41146 2/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL9681534 0.80 DDB1 (0.41) ALDH1A1KDM4EGAADDB1CRBN
SCHEMBL11377939 0.74 GRIN1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6294302 0.74 DPP4 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15043630 0.72 GRIN1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11188738 0.72 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25368706 0.71 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL435412 0.71 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10179261 0.71 GRIN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL435025 0.70 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9682670 0.70 ALDH1A1 (0.43) GRIN1GRIN2AGRIN2BALDH1A1HTT

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
US-5118697-A Acyl-coenzyme A: cholesterol acyltransferase inhibitors for reducing blood cholesterol levels WARNER-LAMBERT COMPANY (US) 1992-06-02 US disclosed