SCHEMBL4690182

SCHEMBL4690182

Cc1ccc(NCCCN2CC3CN(C(=O)c4cnccc4C(F)(F)F)CC3C2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.41
ABL1 P00519 1/20 0.40
KIT P10721 1/20 0.40
RIPK1 Q13546 4/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
RAF1 P04049 2/20 0.38
ARAF P10398 2/20 0.38
BRAF P15056 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
FLT1 P17948 3/20 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
SCHEMBL4691397 0.91 CYP11B1 (0.41) ABL1KITHCRTR1HCRTR2KDM4E
SCHEMBL4693631 0.89 KDM4E (0.40) RIPK1HCRTR1HCRTR2KDM4EGAA
SCHEMBL4693018 0.88 NPY2R (0.47) KDM4EGAASMN1; SMN2
SCHEMBL4690176 0.88 ABL1 (0.44) RBP4ABL1KITRIPK1PSEN1
SCHEMBL4695005 0.87 KDM4E (0.38) ABL1KITHCRTR1HCRTR2KDM4E
SCHEMBL4693170 0.86 HCRTR1 (0.51) RAF1ARAFBRAFHCRTR1HCRTR2
SCHEMBL4695974 0.85 ALDH1A1 (0.43) KDM4EGAASMN1; SMN2MEN1RAB9A
SCHEMBL4694025 0.85 P2RX7 (0.48)
SCHEMBL4692110 0.85 HCRTR1 (0.51) RAF1ARAFBRAFHCRTR1HCRTR2
SCHEMBL4691185 0.84 P2RX7 (0.43) RAF1ARAFBRAFHCRTR1HCRTR2

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