SCHEMBL4694154

SCHEMBL4694154

Cc1ccc(C(CC(N)=O)N2CC3CN(C(=O)c4cccc(C(F)(F)F)c4)CC3C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
MGLL Q99685 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPY2R P49146 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
RBP4 P02753 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 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
SCHEMBL4690843 0.90 GAA (0.41) HPGDMGLLNPY2RHSD11B1KMT2A
SCHEMBL4695755 0.89 TACR1 (0.36)
SCHEMBL4691879 0.85 HSD11B1 (0.36) HPGDMGLLHSD11B1
SCHEMBL4691228 0.85 HSD11B1 (0.38) HPGDMGLLHSD11B1
SCHEMBL4695951 0.85 LMNA (0.39) LMNAPOLBHPGDABL1BCR
SCHEMBL4693611 0.85 KCNK3 (0.44) LMNAMGLLKCNK3KCNK9HSD11B1
SCHEMBL4694023 0.84 P2RX7 (0.47)
SCHEMBL3281863 0.84 HCRTR1 (0.48)
SCHEMBL4693016 0.83 MGLL (0.39) MGLLNPY2R
SCHEMBL4694241 0.83 HCRTR1 (0.39)

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