SCHEMBL16719793

SCHEMBL16719793

CN(C)Cn1ccc2c[c]ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL188217 0.83 HTR2C (0.61) HTR2AHTR2CCDK4CCND1HTR1D
SCHEMBL6754186 0.81 HTR2A (0.50) HTR2AHTR2CCDK4CCND1HTR1D
SCHEMBL189124 0.80 CDK4 (0.35) HTR2AHTR2CCDK4CCND1
SCHEMBL16719749 0.79 CYP3A4 (0.45) HTR2AHTR2C
SCHEMBL694594 0.77 CDK4 (0.41) HTR2AHTR2CCDK4CCND1
SCHEMBL6228700 0.77 CDK4 (0.35) CDK4CCND1
SCHEMBL6231638 0.76 HTR2C (0.33) HTR2AHTR2CCDK4CCND1
SCHEMBL6229841 0.76 HTR2C (0.41) HTR2AHTR2C
SCHEMBL6229331 0.76 GRM2 (0.34) HTR2AHTR2CCDK4CCND1
SCHEMBL5814894 0.75 CDK4 (0.44) HTR2AHTR2CCDK4CCND1

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed