SCHEMBL5778500

SCHEMBL5778500

CC(C)CC1(C(=O)Nc2ccncc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CETP P11597 5/20 0.44
RAB9A P51151 2/20 0.42
MME P08473 2/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MDM2 Q00987 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40

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
Hydrochloric Acid SCHEMBL29928336 0.78 LMNA (0.50) LMNANPSR1CETPRAB9AROCK2
SCHEMBL29530533 0.76 LMNA (0.51) LMNANPSR1RAB9AROCK2ROCK1
SCHEMBL30687001 0.76 LMNA (0.51) LMNANPSR1RAB9AROCK2ROCK1
SCHEMBL30687000 0.76 LMNA (0.51) LMNANPSR1RAB9AROCK2ROCK1
SCHEMBL1555616 0.76 LMNA (0.48) LMNANPSR1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL30687009 0.75 ROCK2 (0.50) LMNANPSR1RAB9AROCK2ROCK1
SCHEMBL528151 0.74 CETP (0.77) CETPMME
SCHEMBL7336412 0.73 LMNA (0.45) LMNANPSR1RAB9AMDM2EPHX1
SCHEMBL5707457 0.72 CETP (0.41) CETPMME
SCHEMBL12841111 0.72 CETP (0.64) CETPRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed