SCHEMBL6007451

SCHEMBL6007451

CC(C)(C)c1ccc(C(=O)C2CCN(CC(N)Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTR2A P28223 3/20 0.49
KCNH2 Q12809 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2J2 P51589 1/20 0.44

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
SCHEMBL6009242 0.96 MEN1 (0.57) MEN1KMT2AHTR2AKCNH2SLC6A2
SCHEMBL6007356 0.89 HTR2A (0.61) MEN1KMT2AHTR2AKCNH2SLC6A2
SCHEMBL3838690 0.85 HTR2A (0.61) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL6009245 0.85 MGLL (0.54) MEN1KMT2AHTR2AKCNH2
SCHEMBL3838692 0.85 HTR2A (0.61) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL3838687 0.85 HTR2A (0.61) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL6007996 0.85 MEN1 (0.55) MEN1KMT2AHTR2AKCNH2SLC6A2
SCHEMBL6007922 0.85 SLC18A3 (0.57) MEN1KMT2AHTR2AKCNH2
SCHEMBL6007909 0.81 MGLL (0.54) MEN1KMT2AHTR2AKCNH2
SCHEMBL6007910 0.80 KCNH2 (0.50) HTR2AKCNH2SLC6A2SLC6A4SLC6A3

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
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US claimed
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed