SCHEMBL5202357

SCHEMBL5202357

Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
TPSAB1 Q15661 5/20 0.41
HSD11B1 P28845 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
SYK P43405 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5203731 0.85 PDE2A (0.41) SLC2A1ALDH1A1TPSAB1HSD11B1PROKR1
SCHEMBL5203872 0.83 TPSAB1 (0.48) ALDH1A1TPSAB1HTR2AHTR2CHTR2B
SCHEMBL4859525 0.79 SLC2A1 (0.63) SLC2A1ALDH1A1LMNATDP1HTT
SCHEMBL5201638 0.78 SLC2A1 (0.49) SLC2A1ALDH1A1LMNATDP1HTT
SCHEMBL14181452 0.78 SLC2A1 (0.57) SLC2A1ALDH1A1LMNATDP1HTT
SCHEMBL4859827 0.76 SLC2A1 (0.61) SLC2A1ALDH1A1LMNATDP1HTT
SCHEMBL5206911 0.76 SLC2A1 (0.57) SLC2A1ALDH1A1LMNATDP1HTT
SCHEMBL5206419 0.75 SMN1; SMN2 (0.49) SLC2A1ALDH1A1TPSAB1HSD11B1HTR2A
SCHEMBL5204238 0.75 HSD11B1 (0.47) SLC2A1ALDH1A1NPSR1HSD11B1HTR2B
SCHEMBL5202048 0.75 SLC2A1 (0.44) SLC2A1ALDH1A1LMNAHTTNPSR1

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