SCHEMBL5705940

SCHEMBL5705940

CCC(N)(CC)CCN(CCNC(=O)Nc1ccc(Br)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MCHR1 Q99705 2/20 0.47
▸ MTOR P42345 4/20 0.43
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GOT1 P17174 1/20 0.38

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
SCHEMBL5705945 0.85 MEN1 (0.47) MEN1KMT2AMCHR1CNR1EPHX2
SCHEMBL4119011 0.83 MCHR1 (0.58) MEN1KMT2AMCHR1MTORCNR1
SCHEMBL4119984 0.82 MEN1 (0.51) MEN1KMT2AMCHR1MTORCA1
SCHEMBL5705917 0.81 CNR1 (0.57) MEN1KMT2AMCHR1CNR1EPHX2
SCHEMBL4108817 0.79 MEN1 (0.50) MEN1KMT2AMCHR1MTORCNR1
SCHEMBL4118376 0.79 MCHR1 (0.66) MEN1KMT2AMCHR1MTORCA1
SCHEMBL4128393 0.79 MEN1 (0.52) MEN1KMT2AMCHR1MTORCNR1
SCHEMBL4116418 0.79 MEN1 (0.52) MEN1KMT2AMCHR1MTORCNR1
SCHEMBL4112186 0.79 MEN1 (0.60) MEN1KMT2AMCHR1MTORCA1
SCHEMBL4108824 0.77 CCR3 (0.48) MEN1KMT2AMCHR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO disclosed
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