SCHEMBL5202048

SCHEMBL5202048

Cc1cccc(C(=O)N2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)C2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTR6 P50406 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
FABP4 P15090 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 2/20 0.42
DRD2 P14416 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 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
SCHEMBL5204238 0.94 HSD11B1 (0.47) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5201977 0.87 SLC2A1 (0.46) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5202100 0.86 ALDH1A1 (0.51) KMT2ASMN1; SMN2HSD11B1TPSAB1ALDH1A1
SCHEMBL5204138 0.83 MGLL (0.49) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5204227 0.82 SLC2A1 (0.46) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL4862016 0.82 SLC5A1 (0.49) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL4857565 0.81 HDAC3 (0.46) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL4853030 0.81 HDAC3 (0.46) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5202509 0.80 SLC2A1 (0.49) SLC2A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5202510 0.79 HSD11B1 (0.55) KMT2ASMN1; SMN2HTTHSD11B1TPSAB1

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