SCHEMBL4064287

SCHEMBL4064287

CCN(C(=O)O)C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
OPRM1 P35372 6/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CCR5 P51681 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL18469919 0.85 CCR5 (0.41) PKMOPRM1HTR1AHTR2AKDM4E
SCHEMBL967470 0.83
SCHEMBL22241230 0.83 PKM (0.40) PKMOPRM1HTR1AHTR2AKDM4E
SCHEMBL18469951 0.81 PKM (0.39) PKMOPRM1HTR1AHTR2AKDM4E
SCHEMBL967276 0.81 L3MBTL1 (0.49) L3MBTL1
SCHEMBL18469948 0.80 CCR5 (0.45) PKMOPRM1HTR1AHTR2ACCR5
SCHEMBL970095 0.79 L3MBTL1 (0.51) L3MBTL1
SCHEMBL18469961 0.79 CCR5 (0.46) PKMHTR1AHTR2ACCR5
SCHEMBL18469925 0.79 PKM (0.37) PKMOPRM1HTR1AHTR2ACCR5
SCHEMBL967635 0.78 L3MBTL1 (0.54) L3MBTL1

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-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed