SCHEMBL3954643

SCHEMBL3954643

NCCCC(=O)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.55
SIGMAR1 Q99720 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
BCL2 P10415 4/20 0.48
BAK1 Q16611 2/20 0.48
HTR7 P34969 4/20 0.48
BCL2L1 Q07817 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTR1A P08908 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
CPB2 Q96IY4 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL1958329 0.82 HTR7 (0.55) SIGMAR1ALDH1A1BCL2BAK1HTR7
SCHEMBL1446676 0.80 LMNA (0.53) ALDH1A1MAPTTSHRMAPK1BCL2
SCHEMBL1446715 0.80 HTR7 (0.51) ALDH1A1MAPTTSHRMAPK1BCL2
SCHEMBL6500422 0.79 CACNA2D1 (0.56) ALDH1A1MAPTTSHRMAPK1BCL2
SCHEMBL10929641 0.78 HTR7 (0.54) ALDH1A1BCL2BAK1HTR7BCL2L1
SCHEMBL9178963 0.78 CACNA1G (0.53) CACNA1GBCL2BAK1HTR7BCL2L1
SCHEMBL15224158 0.78 SIGMAR1 (0.73) CACNA1GSIGMAR1ALDH1A1HTR7LMNA
SCHEMBL2116073 0.77 HTR7 (0.53) CACNA1GALDH1A1BCL2BAK1HTR7
SCHEMBL3959128 0.77 CACNA1G (0.64) CACNA1GSIGMAR1ALDH1A1MAPTTSHR
SCHEMBL1138135 0.76 HTR7 (0.60) SIGMAR1ALDH1A1MAPTBCL2BAK1

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
WO-2009035307-A2 NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2009-03-19 WO claimed
WO-2009035307-A2 NOVEL COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION COMPRISING THE SAME FOR INHIBITING PAIN EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2009-03-19 WO disclosed