SCHEMBL4690666

SCHEMBL4690666

Cc1ccc(C(=O)NCCCN2CC3CN(C(=O)c4ccc(Cl)cc4C)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 1/20 0.42
MAPK14 Q16539 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CACNA1G O43497 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL4694269 0.94 HCRTR1 (0.48) NTRK1MAPTSLC6A4TMEM97SIGMAR1
SCHEMBL4690744 0.93 NTRK1 (0.42) NTRK1MAPTSLC6A4TMEM97SIGMAR1
SCHEMBL4690504 0.91 HCRTR1 (0.50) F10HCRTR1HCRTR2KMT2ADRD2
SCHEMBL4696371 0.91 TSHR (0.44) MAPTSLC6A4LMNASMN1; SMN2MAPK14
SCHEMBL4691870 0.89 F10 (0.50) SMN1; SMN2F10MEN1KMT2ADRD2
SCHEMBL4693332 0.89 SLC6A4 (0.45) SLC6A4TMEM97SIGMAR1LMNASMN1; SMN2
SCHEMBL4695945 0.89 NTRK1 (0.44) NTRK1MAPTSLC6A4F10MAPK14
SCHEMBL4692993 0.88 TSHR (0.43) MAPTSLC6A4LMNASMN1; SMN2MAPK14
SCHEMBL4694433 0.88 P2RX7 (0.45) MAPTLMNASMN1; SMN2MAPK14HCRTR1
SCHEMBL4691761 0.88 SLC6A2 (0.44) SLC6A4LMNASMN1; SMN2MAPK14KMT2A

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