SCHEMBL5230652

SCHEMBL5230652

O=C(NCCCc1cccc(N2CC3CN(C(=O)c4c(F)cccc4Cl)CC3C2)c1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
LIPG Q9Y5X9 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
RORC P51449 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTAFR P25105 1/20 0.37

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
SCHEMBL5230093 0.94 HCRTR1 (0.39) NAMPTLIPGLMNAHCRTR1HCRTR2
SCHEMBL5239318 0.94 NPC1 (0.43) NAMPTHCRTR1HCRTR2DRD3SMN1; SMN2
SCHEMBL5240254 0.93 NPC1 (0.46) NAMPTLIPGHCRTR1HCRTR2DRD2
SCHEMBL5233573 0.93 HSD17B10 (0.41) NAMPTGAAHCRTR1HCRTR2DRD2
SCHEMBL5235222 0.93 HTR1A (0.41) NAMPTHCRTR1HCRTR2DRD2DRD3
SCHEMBL5237555 0.93 NAMPT (0.40) NAMPTHCRTR1HCRTR2DRD2DRD3
SCHEMBL5233648 0.92 HCRTR1 (0.42) LIPGLMNAHCRTR1HCRTR2SMN1; SMN2
SCHEMBL5231455 0.92 NAMPT (0.40) NAMPTHCRTR1HCRTR2DRD2DRD3
SCHEMBL5231952 0.91 NAMPT (0.43) NAMPTLMNADRD2DRD3HTT
SCHEMBL5237514 0.91 DRD4 (0.48) NAMPTLMNADRD2SMN1; SMN2RAB9A

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-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed