SCHEMBL4691336

SCHEMBL4691336

NC(=O)Oc1ccc2[nH]c(C(=O)N3CC4CN(CC[CH]c5ccccc5)C[C@H]4C3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD3 P35462 8/20 0.43
DRD2 P14416 5/20 0.43
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
AKR1C3 P42330 2/20 0.41
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2B P41595 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4694113 0.80 CHRNB2 (0.40) MEN1KMT2A
SCHEMBL4695963 0.78 HCRTR1 (0.39)
SCHEMBL4691339 0.75 AKR1C3 (0.49) HRH4HRH3DRD3DRD2AKR1C3
SCHEMBL4691343 0.75 MEN1 (0.54) HRH4HRH3MEN1KMT2ADRD3
SCHEMBL4693258 0.75 HCRTR1 (0.41) KMT2A
SCHEMBL4694094 0.73 CHRNB2 (0.44) HRH3
SCHEMBL4690594 0.73 CCR5 (0.44) KMT2A
SCHEMBL4695464 0.72 HCRTR1 (0.44) HRH4
SCHEMBL4694116 0.72 HCRTR2 (0.38)
SCHEMBL4690551 0.72 MAPK14 (0.41)

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