SCHEMBL13632802

SCHEMBL13632802

N[C@H](C(=O)N1CCCCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
DPP4 P27487 1/20 0.52
DPP7 Q9UHL4 1/20 0.50
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 2/20 0.48
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL4984200 1.00 HPGD (0.53) HPGDKMT2ANPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL6261119 0.98 GAA (0.51) HPGDKMT2ANPSR1KDM4EMAPT
SCHEMBL5007669 0.98 DPP4 (0.54) HPGDKMT2ANPSR1KDM4EMAPT
SCHEMBL14027830 0.98 DPP4 (0.54) HPGDKMT2ANPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL4741021 0.96 DPP4 (0.52) HPGDKMT2ANPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL4741023 0.96 DPP4 (0.52) HPGDKMT2ANPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL21995057 0.89 ROCK2 (0.54) KMT2AKDM4EDPP4ROCK2CYP3A4
Hydrochloric Acid SCHEMBL21995059 0.89 ROCK2 (0.54) KMT2AKDM4EDPP4ROCK2CYP3A4
SCHEMBL4702239 0.83 ALDH1A1 (0.63) HPGDKMT2AKDM4EGAATSHR
SCHEMBL22642320 0.83 ROCK2 (0.50) KMT2AKDM4EMAPTDPP4ROCK2

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-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed