SCHEMBL4693631

SCHEMBL4693631

Cc1ccc(NCCCN2CC3CN(C(=O)c4ccncc4Cl)CC3C2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
AVPR2 P30518 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RIPK1 Q13546 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4691397 0.93 CYP11B1 (0.41) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL4695005 0.89 KDM4E (0.38) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL4690182 0.89 RBP4 (0.41) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL4695974 0.89 ALDH1A1 (0.43) KDM4EGAASMN1; SMN2KMT2AMEN1
SCHEMBL4690682 0.88 P2RX7 (0.44) GAASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL4694435 0.87 P2RX7 (0.47) SMN1; SMN2KMT2AMEN1RAB9AALDH1A1
SCHEMBL4693334 0.87 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL4693221 0.86 CHRNB2 (0.45) KDM4EGAAKMT2AMEN1RAB9A
SCHEMBL4692994 0.86 AVPR2 (0.42) KDM4EGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL4695322 0.86 TSHR (0.46) KDM4EGAASMN1; SMN2RAB9AALDH1A1

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