SCHEMBL4772340

SCHEMBL4772340

CCCN1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KCNH2 Q12809 1/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
RORC P51449 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
P2RX7 Q99572 1/20 0.42
KDM2B Q8NHM5 2/20 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
SCHEMBL4024282 0.87 SLC18A3 (0.45) KMT2AMEN1KCNH2RORCALDH1A1
SCHEMBL4026119 0.87 SLC18A3 (0.45) KMT2AMEN1KCNH2RORCALDH1A1
SCHEMBL4019381 0.86 KMT2A (0.46) KMT2AMEN1RORCALDH1A1LMNA
SCHEMBL4019373 0.86 KMT2A (0.46) KMT2AMEN1RORCALDH1A1LMNA
SCHEMBL4026548 0.86 KMT2A (0.46) KMT2AMEN1RORCALDH1A1LMNA
SCHEMBL4028249 0.85 HRH3 (0.45) KMT2AMEN1HRH3KCNH2RORC
SCHEMBL4774189 0.85 NTRK1 (0.43) KMT2AMEN1DRD3RORCALDH1A1
SCHEMBL4027487 0.85 HRH3 (0.45) KMT2AMEN1HRH3KCNH2RORC
SCHEMBL4019229 0.85 NTRK1 (0.43) KMT2AMEN1DRD3RORCALDH1A1
SCHEMBL4772338 0.85 HRH3 (0.45) KMT2AMEN1HRH3KCNH2RORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed