SCHEMBL24821

SCHEMBL24821

CCCCCCc1[c]cccc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
KCNH2 Q12809 2/20 0.39
SPHK2 Q9NRA0 7/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL454634 0.80 KDM4E (0.32) DRD2HTR2CSLC6A4
SCHEMBL21523328 0.75 LIPG (0.49) KCNH2
SCHEMBL21523367 0.75 LIPG (0.49) KCNH2
SCHEMBL21523332 0.75 LIPG (0.49) KCNH2
SCHEMBL21523344 0.75 LIPG (0.49) KCNH2
SCHEMBL21523356 0.75 LIPG (0.49) KCNH2
SCHEMBL21523337 0.75 LIPG (0.49) KCNH2
SCHEMBL21523319 0.75 LIPG (0.49) KCNH2
SCHEMBL21523330 0.75 LIPG (0.49) KCNH2
SCHEMBL21523361 0.75 LIPG (0.49) KCNH2

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-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 WO disclosed