SCHEMBL8971272

SCHEMBL8971272

CCC(C)N1CCC(CC(C)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
OPRM1 P35372 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
AKR1C3 P42330 1/20 0.35
GPR183 P32249 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14725147 0.83 HRH3 (0.41) HRH3AKR1C3
SCHEMBL3532818 0.77 HRH3 (0.39) KDM4EOPRM1HRH3MEN1KMT2A
SCHEMBL3532821 0.77 HRH3 (0.39) KDM4EOPRM1HRH3
SCHEMBL23612752 0.77 HRH3 (0.41) KDM4EOPRM1HRH3
SCHEMBL17190311 0.76 HRH3 (0.36) HRH3AKR1C3
SCHEMBL20328001 0.76 KDM4E (0.50) KDM4EGPR183
SCHEMBL21414346 0.74 KDM4E (0.41) KDM4EOPRM1HRH3GPR183
SCHEMBL24040238 0.74 HRH3 (0.40) OPRM1HRH3
SCHEMBL29010533 0.73 CPB2 (0.33) AKR1C3
SCHEMBL28718955 0.73 CPB2 (0.33) AKR1C3

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-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed