SCHEMBL9988069

SCHEMBL9988069

CCNC(=O)N1C[CH]CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
BRD4 O60885 1/20 0.35
RAB9A P51151 2/20 0.35
FAAH O00519 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MTOR P42345 1/20 0.35
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23149339 0.81
SCHEMBL19741751 0.78
SCHEMBL965286 0.78 KMT2A (0.82) KMT2AHTTLMNAPOLBALDH1A1
SCHEMBL5238596 0.77 KMT2A (0.72) KMT2AHTTPOLBKDM4EMAPK1
SCHEMBL966438 0.77 KMT2A (0.78) KMT2AHTTLMNAALDH1A1MAPK1
SCHEMBL4803949 0.77 KMT2A (0.78) KMT2AHTTLMNAALDH1A1MAPK1
SCHEMBL17273858 0.77 KMT2A (0.78) KMT2AHTTLMNAALDH1A1MAPK1
SCHEMBL29135819 0.76 KMT2A (0.59) KMT2AHTTLMNAKDM4EALDH1A1
SCHEMBL10644138 0.76 BLM (0.40) KMT2ALMNAALDH1A1TSHRMEN1
SCHEMBL512076 0.73 L3MBTL1 (0.47) KMT2APOLBALDH1A1NPC1MEN1

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed