SCHEMBL4692993

SCHEMBL4692993

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPK14 Q16539 1/20 0.40
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
RAD52 P43351 1/20 0.38
SMYD2 Q9NRG4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4696371 0.95 TSHR (0.44) TSHRSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL4694295 0.93 TSHR (0.43) TSHRSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL4694433 0.89 P2RX7 (0.45) LMNASMN1; SMN2MAPK14MAPT
SCHEMBL4690666 0.88 NTRK1 (0.44) SLC6A4LMNASMN1; SMN2MAPK14MAPT
SCHEMBL4693332 0.88 SLC6A4 (0.45) SLC6A2SLC6A4LMNASMN1; SMN2GAA
SCHEMBL4691664 0.88 LMNA (0.42) LMNASMN1; SMN2MAPK14CYP2C9MAPT
SCHEMBL4693959 0.88 HCRTR1 (0.45) SLC6A2SLC6A4LMNASMN1; SMN2MAPK14
SCHEMBL4692347 0.87 DRD2 (0.42) TSHRSLC6A2SLC6A4LMNASMN1; SMN2
SCHEMBL3284096 0.87 SMYD2 (0.44) SLC6A2SLC6A4LMNASMN1; SMN2MAPK14
SCHEMBL4695321 0.86 TSHR (0.43) TSHRLMNASMN1; SMN2MAPK14CYP2C9

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