SCHEMBL4718769

SCHEMBL4718769

COc1cc(OC)cc(-c2nn(-c3cc(NCCCNC(C)=O)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.40
MTNR1B P49286 3/20 0.37
MTNR1A P48039 2/20 0.37
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
F10 P00742 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4721552 0.98 SCD (0.40) SCDMTNR1BMTNR1AKDM4EKMT2A
SCHEMBL4721809 0.96 SCD (0.41) SCDMTNR1BMTNR1AKDM4EKMT2A
SCHEMBL4719833 0.91 PDE4A (0.35) SCDKDM4EKMT2ASMN1; SMN2PDE4A
SCHEMBL4725015 0.91 BRD4 (0.38) KDM4EKMT2AEPHX2
SCHEMBL4719449 0.91 PDE4A (0.36) SCDKDM4EKMT2ASMN1; SMN2PDE4A
SCHEMBL4765721 0.91 PDE4A (0.36) SCDKDM4EKMT2ASMN1; SMN2F10
SCHEMBL4722084 0.90 PDE4A (0.35) SCDKDM4EKMT2ASMN1; SMN2F10
SCHEMBL4722253 0.90 PDE4A (0.35) SCDKDM4EKMT2ASMN1; SMN2F10
SCHEMBL4723364 0.90 PDE4A (0.35) SCDKDM4EKMT2ASMN1; SMN2PDE4A
SCHEMBL4721220 0.90 PDE4A (0.35) SCDKDM4EKMT2ASMN1; SMN2F10

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed