SCHEMBL5236182

SCHEMBL5236182

O=C(NCCCc1cccc(N2CC3CN(C(=O)c4c(F)cccc4Cl)CC3C2)c1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
NAMPT P43490 1/20 0.40
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5236794 0.97 POLB (0.41) POLBNPC1RAB9ASIGMAR1NAMPT
SCHEMBL5233648 0.93 HCRTR1 (0.42) POLBNPC1RAB9ASIGMAR1HCRTR1
SCHEMBL5236986 0.93 NPC1 (0.41) POLBNPC1RAB9ASIGMAR1HCRTR1
SCHEMBL5234242 0.92 SCD (0.42) POLBSIGMAR1HCRTR1HCRTR2
SCHEMBL5236894 0.92 HCRTR1 (0.38) POLBNPC1RAB9ASIGMAR1HCRTR1
SCHEMBL5239318 0.92 NPC1 (0.43) POLBNPC1RAB9ASIGMAR1NAMPT
SCHEMBL5235749 0.91 POLB (0.42) POLBNPC1RAB9ANAMPTHCRTR1
SCHEMBL5237472 0.91 POLB (0.39) POLBNPC1RAB9ASIGMAR1HCRTR1
SCHEMBL5236424 0.91 HCRTR1 (0.43) POLBNPC1RAB9ASIGMAR1HCRTR1
SCHEMBL5234748 0.91 KMT2A (0.38) POLBNPC1RAB9ASIGMAR1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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