SCHEMBL5203062

SCHEMBL5203062

CN(C)C(=O)Cn1cc(C2CCN(S(=O)(=O)Cc3ccccc3)C2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTR6 P50406 2/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HRH2 P25021 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
SCHEMBL4851454 0.81 HTR6 (0.43) HCRTR1HCRTR2LMNAPOLBTHRB
SCHEMBL5204228 0.81 EPHX2 (0.44) LMNAPOLBTHRBALDH1A1MAPT
SCHEMBL5206126 0.79 KMT2A (0.42) LMNAPOLBALDH1A1HTR6
SCHEMBL5202889 0.74 HPN (0.52) LMNAPOLBTHRBALDH1A1HTR6
SCHEMBL5205820 0.74 HRH2 (0.42) LMNAMAPTHPGDHRH2
SCHEMBL4860552 0.74 HRH2 (0.46) LMNAALDH1A1MAPTHRH2
SCHEMBL4854486 0.74 ALDH1A1 (0.46) NPSR1ALDH1A1HRH2
SCHEMBL5202530 0.74 ALDH1A1 (0.42) LMNAALDH1A1MAPT
SCHEMBL4851493 0.74 MEN1 (0.45) HSD17B10HTR6HRH2
SCHEMBL5206637 0.73 LMNA (0.44) LMNAHRH2

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