SCHEMBL744670

SCHEMBL744670

CN(C)CCNC(=O)c1c[c]on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTR2C P28335 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL4469418 0.79 CNR1 (0.40) HDAC4HDAC6POLBHTTSMN1; SMN2
SCHEMBL2360704 0.74 LMNA (0.57) NFKB1NFKB2RELAUSP2HTT
SCHEMBL13072251 0.74 POLB (0.46) HDAC4HDAC1HDAC6NFKB1NFKB2
SCHEMBL2360702 0.73 USP2 (0.46) HDAC4HDAC1HDAC6NFKB1NFKB2
SCHEMBL17481964 0.72 SMN1; SMN2 (0.47) HDAC4HDAC1HDAC6NFKB1NFKB2
SCHEMBL19484079 0.72 THRB (0.54) HDAC4HDAC1HDAC6USP2POLB
SCHEMBL12247948 0.71 LMNA (0.57) POLBHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL19484202 0.71 CYP2D6 (0.47) HDAC4HDAC1HDAC6USP2HTT
SCHEMBL6931 0.69 ALDH1A1 (0.57) POLBALDH1A1HTR2CLMNAHPGD
SCHEMBL16887995 0.68 MLLT1 (0.47) SMN1; SMN2

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-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed