SCHEMBL9851573

SCHEMBL9851573

CCN1CCC(CN)(CO)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9851577 0.85 KDM4E (0.40) KDM4ELMNAMAPK1NPSR1
SCHEMBL9851591 0.81 TSHR (0.36) TSHR
SCHEMBL9851614 0.80 CYP2D6 (0.36) TSHR
Bromide SCHEMBL9851562 0.79 TSHR (0.35) TSHR
SCHEMBL24137999 0.79 KDM4E (0.47) KDM4EGAATSHRLMNAMAPK1
SCHEMBL10646186 0.74 KDM4E (0.33) KDM4EGAA
SCHEMBL10238594 0.74 KDM4E (0.40) KDM4EGAATSHR
SCHEMBL18415192 0.73 GAA (0.43) KDM4EGAALMNAMAPK1
SCHEMBL25511995 0.72 GAA (0.42) KDM4EGAATSHRLMNAMAPK1
SCHEMBL4078203 0.71 GAA (0.34) KDM4EGAA

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-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed