SCHEMBL3149203

SCHEMBL3149203

COc1ccc2ccc(F)c(C(C(=O)O)C(C)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ACACB O00763 12/20 0.39
ACACA Q13085 8/20 0.39
SUV39H2 Q9H5I1 3/20 0.38
HTR2C P28335 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL4797081 0.82 CKS1B (0.37) CKS1BSKP1SKP2ACACBACACA
SCHEMBL3154917 0.82 ACACB (0.38) CKS1BSKP1SKP2ACACBACACA
SCHEMBL3149200 0.82 ACACB (0.38) CKS1BSKP1SKP2ACACBACACA
SCHEMBL3149216 0.78 CKS1B (0.40) CKS1BSKP1SKP2ACACBACACA
SCHEMBL1712060 0.74 MTNR1A (0.40) HTR2CMTNR1AMTNR1B
SCHEMBL1711953 0.73 MTNR1A (0.39) HTR2CMTNR1AMTNR1B
SCHEMBL1711943 0.72 MTNR1A (0.42) HTR2CMTNR1AMTNR1B
SCHEMBL1712486 0.72 MTNR1A (0.39) HTR2CMTNR1AMTNR1B
SCHEMBL3753033 0.72 PDCD1 (0.36) HTR2CMTNR1AMTNR1BDRD2
SCHEMBL1267140 0.72 KCNH2 (0.43) CKS1BSKP1SKP2ACACBACACA

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-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed