SCHEMBL5201638

SCHEMBL5201638

O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCC(c2cn(Cc3cccc(F)c3)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 4/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
HRH2 P25021 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PROKR1 Q8TCW9 2/20 0.39
CCR1 P32246 1/20 0.39
TPSAB1 Q15661 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 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
SCHEMBL5206324 0.90 SLC2A1 (0.50) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5202930 0.79 SLC2A1 (0.59) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5202357 0.78 SLC2A1 (0.55) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL4859525 0.75 SLC2A1 (0.63) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5204138 0.74 MGLL (0.49) SLC2A1ALDH1A1TP53MAPT
SCHEMBL14181452 0.73 SLC2A1 (0.57) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL4859827 0.73 SLC2A1 (0.61) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5206911 0.73 SLC2A1 (0.57) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5204227 0.72 SLC2A1 (0.46) SLC2A1LMNAALDH1A1HTTNPSR1
SCHEMBL5201977 0.72 SLC2A1 (0.46) SLC2A1ALDH1A1HTTNPSR1TP53

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 1 patent. 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