SCHEMBL4694086

SCHEMBL4694086

Cc1ccc(NCCCN2CC3CN(C(=O)c4cc(F)c(Cl)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AVPR2 P30518 2/20 0.37
CCR5 P51681 2/20 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
SCHEMBL4695322 0.95 TSHR (0.46) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4693721 0.91 MAPT (0.41) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4696916 0.89 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4691905 0.89 HCRTR1 (0.47) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4694435 0.89 P2RX7 (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AAVPR2
SCHEMBL4690747 0.88 HCRTR1 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4692947 0.88 CPS1 (0.41) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4694377 0.88 LMNA (0.42) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4692715 0.88 HCRTR1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4694970 0.88 LMNA (0.40) MAPTSMN1; SMN2ALDH1A1LMNAGAA

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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP 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