SCHEMBL2905217

SCHEMBL2905217

O=C(C=Cc1cccc(Cl)c1)N1CCC(=O)N(CCN2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
GAA P10253 2/20 0.57
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
MAOB P27338 2/20 0.47
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL2905214 1.00 LMNA (0.73) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2903225 0.88 ALDH1A1 (0.54) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2903222 0.88 ALDH1A1 (0.54) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2904334 0.85 MEN1 (0.51) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2904336 0.85 MEN1 (0.51) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2903457 0.85 CCR2 (0.51) LMNAALDH1A1MEN1KMT2AACHE
SCHEMBL2903456 0.85 CCR2 (0.51) LMNAALDH1A1MEN1KMT2AACHE
SCHEMBL2904467 0.85 ALDH1A1 (0.51) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2904465 0.85 ALDH1A1 (0.51) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2902775 0.84 ITGB2 (0.51) LMNAALDH1A1MEN1KMT2AKDM4E

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed