SCHEMBL4694433

SCHEMBL4694433

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4ccc(F)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
HSD11B1 P28845 1/20 0.44
NAMPT P43490 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR7 P34969 1/20 0.41
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HCRTR1 O43613 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
SCHEMBL4695321 0.90 TSHR (0.43) MAPTLMNASMN1; SMN2HTR7MAPK14
SCHEMBL4689473 0.90 NAMPT (0.41) NAMPTTP53MAPTLMNASMN1; SMN2
SCHEMBL4692993 0.89 TSHR (0.43) MAPTLMNASMN1; SMN2MAPK14
SCHEMBL4690744 0.89 NTRK1 (0.42) MAPTLMNASMN1; SMN2DRD2DRD4
SCHEMBL4693332 0.88 SLC6A4 (0.45) P2RX7LMNASMN1; SMN2DRD2DRD4
SCHEMBL4690666 0.88 NTRK1 (0.44) MAPTLMNASMN1; SMN2DRD2DRD4
SCHEMBL4691664 0.88 LMNA (0.42) NAMPTMAPTLMNASMN1; SMN2DRD2
SCHEMBL4692216 0.88 SLC6A2 (0.43) LMNASMN1; SMN2HTR1ADRD2DRD4
SCHEMBL4696371 0.86 TSHR (0.44) MAPTLMNASMN1; SMN2MAPK14
SCHEMBL4694435 0.86 P2RX7 (0.47) P2RX7HSD11B1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
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
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed