SCHEMBL5205820

SCHEMBL5205820

CN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccc(Br)cc3)C2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4851493 0.91 MEN1 (0.45) HRH2HDAC3HDAC1HDAC2HDAC10
SCHEMBL4854486 0.83 ALDH1A1 (0.46) HRH2L3MBTL1KMT2A
SCHEMBL4860552 0.83 HRH2 (0.46) HRH2L3MBTL1RAB9ALMNAMAPT
SCHEMBL4854494 0.83 HRH2 (0.46) HRH2LMNAUBE2MDCUN1D1MAPT
SCHEMBL5206637 0.82 LMNA (0.44) HRH2L3MBTL1LMNAKMT2A
SCHEMBL4862005 0.81 SLC5A1 (0.51) HRH2HDAC3HDAC1HDAC2HDAC10
SCHEMBL5202530 0.79 ALDH1A1 (0.42) NPC1LMNAMAPTKMT2A
SCHEMBL5203757 0.77 NPC1 (0.57) HRH2L3MBTL1NPC1RAB9AATM
SCHEMBL5201910 0.77 NPC1 (0.42) HRH2HDAC3HDAC1HDAC2HDAC10
SCHEMBL5204533 0.76 ALDH1A1 (0.46) HRH2HDAC3HDAC1HDAC2HDAC10

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed