SCHEMBL4923873

SCHEMBL4923873

O=C(c1ccccc1)C1C[CH]CN(C(CO)CO)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
SLC18A3 Q16572 2/20 0.36
KCNH2 Q12809 1/20 0.36
CPB1 P15086 1/20 0.35
MGLL Q99685 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4019872 0.73 KMT2A (0.37) HTR2AKMT2AMEN1
SCHEMBL4024300 0.70 KMT2A (0.39) SLC18A3KMT2AMEN1
SCHEMBL4780182 0.70 KMT2A (0.39) SLC18A3KMT2AMEN1
SCHEMBL4025606 0.70 KMT2A (0.39) SLC18A3KMT2AMEN1
SCHEMBL3299615 0.68 MAOB (0.53) KMT2A
SCHEMBL8782068 0.67 HTR2A (0.45) HTR2ASLC18A3KCNH2CPB1MGLL
SCHEMBL18428493 0.63 HTR2A (0.56) HTR2ASLC18A3KCNH2CPB1MGLL
SCHEMBL324342 0.63 HTR2A (0.56) HTR2ASLC18A3KCNH2CPB1MGLL
SCHEMBL22491508 0.63 CPB1 (0.49) HTR2ACPB1MGLLKMT2AHSD11B1
SCHEMBL8788701 0.63 MCL1 (0.45) HTR2ASLC18A3CPB1MGLLKMT2A

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 2 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