SCHEMBL9852002

SCHEMBL9852002

CC(O)[C@@H]1CCC(=O)N1CCO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.34
PER2 O15055 3/20 0.34
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33

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
SCHEMBL9852000 1.00 MAPT (0.35) MAPTBRD4PER2PTGER4PTGER3
SCHEMBL9851999 0.78 FAAH (0.36) MAPTPER2
SCHEMBL9852001 0.78 FAAH (0.36) MAPTPER2
SCHEMBL4338414 0.76 CHRM2 (0.47) BRD4PER2
SCHEMBL19218077 0.73 PDK2 (0.35) BRD4PTGER4PTGER2
SCHEMBL26744978 0.73 PER2 (0.41) BRD4PER2PTGER4PTGER3PTGER2
SCHEMBL26744923 0.73 PER2 (0.41) BRD4PER2PTGER4PTGER3PTGER2
SCHEMBL1712652 0.72 PDK2 (0.39) BRD4PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL4353142 0.70 BRD4 (0.32) BRD4
SCHEMBL1712650 0.70 PDK2 (0.39) BRD4PTGER4PTGER3PTGER2

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-0438311-A2 Di- and tripeptide renin inhibitors MERCK & CO. INC. (US) 1991-07-24 EP disclosed