SCHEMBL5043914

SCHEMBL5043914

CCCCCCCCc1ccc(NC(=O)c2ccc(C[N]Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.59
TRPV1 Q8NER1 10/20 0.58
PLK3 Q9H4B4 5/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RORC P51449 1/20 0.51

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
SCHEMBL5039945 1.00 PLK1 (0.59) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL5043915 0.87 PLK1 (0.60) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1856443 0.87 PLK1 (0.60) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1855979 0.84 PLK1 (0.57) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1855980 0.84 PLK1 (0.57) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1858706 0.84 PLK1 (0.57) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1858703 0.84 PLK1 (0.57) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL4966332 0.84 FAAH (0.49) PLK1TRPV1PLK3KDM4E
SCHEMBL1854194 0.83 PLK1 (0.58) PLK1TRPV1PLK3KDM4ENPC1
SCHEMBL1854267 0.83 PLK1 (0.58) PLK1TRPV1PLK3KDM4ENPC1

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed