SCHEMBL4694302

SCHEMBL4694302

Cc1ccc(NC(=O)CCN2CC3CN(S(=O)(=O)c4c(C)nn(C)c4C)CC3C2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
FPR2 P25090 7/20 0.54
PROKR1 Q8TCW9 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4692445 0.85 TP53 (0.48) MAPTTP53LMNAHTT
SCHEMBL4694262 0.84 SMN1; SMN2 (0.48) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4695294 0.84 MAPT (0.58) MAPTSMN1; SMN2TP53POLBLMNA
SCHEMBL4694306 0.83 FPR2 (0.56) FPR2PROKR1
SCHEMBL3283676 0.81 TP53 (0.53) MAPTSMN1; SMN2TP53POLBLMNA
SCHEMBL4693288 0.79 KMT2A (0.56) MAPTSMN1; SMN2RAB9ATP53HTT
SCHEMBL3286924 0.78 TP53 (0.53) MAPTSMN1; SMN2TP53LMNATSHR
SCHEMBL4690880 0.78 TP53 (0.50) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4695191 0.78 ALDH1A1 (0.52) MAPTSMN1; SMN2TP53USP2LMNA
SCHEMBL3282221 0.77 CCR5 (0.51) MAPTSMN1; SMN2TP53LMNATSHR

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