SCHEMBL5204486

SCHEMBL5204486

COc1cccc(Cn2cc(C3CCN(C(=O)Cc4ccc(Cl)cc4)C3)c3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
LMNA P02545 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
HRH2 P25021 2/20 0.45
SLC2A1 P11166 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL5202930 0.87 SLC2A1 (0.59) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL4852934 0.87 HRH2 (0.50) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL5205779 0.86 HRH2 (0.49) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL5203370 0.86 HRH2 (0.47) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL4857604 0.82 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2HTR2A
SCHEMBL5202293 0.82 THRB (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4859761 0.81 HRH2 (0.48) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL5483292 0.81 PKM (0.39) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL5818040 0.81 SLC2A1 (0.47) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL4859500 0.80 KMT2A (0.52) MAPTLMNAALDH1A1NPSR1HTT

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