SCHEMBL4967479

SCHEMBL4967479

COc1ccccc1N1CCN(CCCCN(C(N)=O)c2c(-c3ccccc3)nc3ccc(Cl)cn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD2 P14416 8/20 0.48
DRD3 P35462 8/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSS P25774 1/20 0.47
CACNA1G O43497 1/20 0.47
DRD4 P21917 3/20 0.46
KCNH2 Q12809 1/20 0.46
HTR7 P34969 1/20 0.45
FAAH O00519 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
SCHEMBL4916690 0.91 MEN1 (0.49) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4917873 0.87 KDM4E (0.48) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4915589 0.83 DRD2 (0.50) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4916834 0.77 DRD2 (0.58) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4917959 0.77 DRD2 (0.49) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4915621 0.77 DRD2 (0.50) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4907682 0.74 DRD2 (0.53) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL4918534 0.73 HTR2A (0.53) KDM4EALDH1A1TDP1DRD2DRD3
Hydrochloric Acid SCHEMBL19580067 0.72 DRD3 (0.62) KDM4EALDH1A1TDP1DRD2DRD3
SCHEMBL5502071 0.71 DRD3 (0.64) KDM4EALDH1A1TDP1DRD2DRD3

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-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP claimed