SCHEMBL4003553

SCHEMBL4003553

CCC(=O)N(C)C1CCCN(Cc2ccc(F)c(NC(=O)Nc3ccc(C)nc3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.39
CCR3 P51677 1/20 0.39
EPHX2 P34913 1/20 0.38
TARDBP Q13148 1/20 0.38
GALR3 O60755 1/20 0.37

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
SCHEMBL400551 1.00 ADRB2 (0.41) ADRB2RAB9AKDM4EKMT2AMEN1
SCHEMBL400753 1.00 ADRB2 (0.41) ADRB2RAB9AKDM4EKMT2AMEN1
SCHEMBL403108 0.95 CCR3 (0.41) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL403110 0.95 CCR3 (0.41) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL4006418 0.95 CCR3 (0.41) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL545088 0.92 ADRB2 (0.44) ADRB2RAB9AKDM4EKMT2AMEN1
SCHEMBL4012615 0.92 ADRB2 (0.44) ADRB2RAB9AKDM4EKMT2AMEN1
SCHEMBL545169 0.92 ADRB2 (0.44) ADRB2RAB9AKDM4EKMT2AMEN1
SCHEMBL398834 0.90 KCNH2 (0.43) RAB9AKDM4ENPC1MAPTPKM
SCHEMBL4012403 0.90 KMT2A (0.41) ADRB2RAB9AKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed