SCHEMBL5203622

SCHEMBL5203622

O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(c2cn(Cc3ccccc3)c3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
HRH2 P25021 3/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL5238287 0.90 SLC2A1 (0.41) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL5202640 0.88 HRH2 (0.43) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL4853409 0.75 SLC2A1 (0.50) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL5206733 0.74 SCD5 (0.47) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL4859500 0.73 KMT2A (0.52) HRH2MEN1KMT2AMAPTLMNA
SCHEMBL5202930 0.72 SLC2A1 (0.59) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL22491576 0.71 SLC2A1 (0.49) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL29734608 0.71 SLC2A1 (0.49) SLC2A1HRH2HTR2AHTR2CHTR2B
SCHEMBL5204138 0.71 MGLL (0.49) SLC2A1MAPTALDH1A1HTR6SMN1; SMN2
SCHEMBL5204227 0.71 SLC2A1 (0.46) SLC2A1HRH2HTR2AHTR2CHTR2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501828-A 2007-02-01 JP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP claimed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO claimed
EP-1654253-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2006-05-10 EP disclosed
WO-2005019208-A1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES Grünenthal GmbH (DE) 2005-03-03 WO disclosed