SCHEMBL4772338

SCHEMBL4772338

CN(C)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
RORC P51449 1/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM1A O60341 1/20 0.37
HTR2A P28223 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL13721498 1.00 HRH3 (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4027493 1.00 HRH3 (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4027487 1.00 HRH3 (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4028249 1.00 HRH3 (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4018682 0.88 RORC (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4021407 0.88 RORC (0.45) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4772340 0.85 KMT2A (0.48) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4021517 0.84 HRH3 (0.42) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4780139 0.84 HRH3 (0.42) HRH3KMT2AMEN1RORCALDH1A1
SCHEMBL4024282 0.83 SLC18A3 (0.45) KMT2AMEN1RORCALDH1A1LMNA

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 5 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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed
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