SCHEMBL30898680

SCHEMBL30898680

CCN1CCC2(CC1)C(=C=O)N(C)c1cc(-c3ccc(C)c(C(N)=O)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 4/20 0.39
OPRK1 P41145 5/20 0.34
OPRD1 P41143 4/20 0.34
OPRM1 P35372 4/20 0.34
OPRL1 P41146 3/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
MAPK14 Q16539 1/20 0.32
CHRM1 P11229 1/20 0.31
POLB P06746 1/20 0.31
CDC7 O00311 1/20 0.30
CDK9 P50750 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
SCHEMBL30898611 0.86 EZH2 (0.39) EZH2MAPK14CDC7CDK9
SCHEMBL30898671 0.80 SLC18A3 (0.37) EZH2OPRK1OPRD1OPRM1DRD2
SCHEMBL30898651 0.73 EZH2 (0.48) EZH2OPRK1OPRD1OPRM1OPRL1
SCHEMBL30898713 0.73 EZH2 (0.48) EZH2OPRK1OPRD1OPRM1OPRL1
SCHEMBL30898695 0.70 TDP2 (0.43) DRD2DRD3CCNCCDK8MAPK14
SCHEMBL30898642 0.65 EZH2 (0.45) EZH2CCNCCDK8HASPINCDC7
SCHEMBL30898645 0.64 EZH2 (0.41) EZH2OPRK1OPRD1OPRM1OPRL1
SCHEMBL3216850 0.64 GAA (0.58) DRD3POLB
SCHEMBL3226312 0.62 ALDH1A1 (0.48) POLB
SCHEMBL22479372 0.61 OPRL1 (0.52) EZH2OPRK1OPRD1OPRM1OPRL1

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
CN-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed