SCHEMBL4019102

SCHEMBL4019102

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CCCN(C)C)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
HTR7 P34969 9/20 0.35
KIF11 P52732 2/20 0.35
KDR P35968 2/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL4025347 0.98 KIF11 (0.37) ACHEHTR7KIF11KDRBCHE
SCHEMBL4749119 0.97 ACHE (0.35) ACHEHTR7KIF11KDRBCHE
SCHEMBL4749137 0.97 ACHE (0.35) ACHEHTR7KIF11KDRBCHE
SCHEMBL4023151 0.97 HTR7 (0.37) ACHEHTR7KIF11KDRBCHE
SCHEMBL4751736 0.95 KIF11 (0.35) ACHEHTR7KIF11KDRBCHE
SCHEMBL4749505 0.95 KIF11 (0.35) ACHEHTR7KIF11KDRBCHE
SCHEMBL4749456 0.95 KIF11 (0.39) HTR7KIF11BCHEKDM4EALDH1A1
SCHEMBL4752081 0.95 KIF11 (0.35) ACHEHTR7KIF11KDRBCHE
SCHEMBL4749461 0.95 KIF11 (0.39) HTR7KIF11BCHEKDM4EALDH1A1
SCHEMBL4752741 0.95 KIF11 (0.35) ACHEHTR7KIF11KDRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
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