SCHEMBL6952935

SCHEMBL6952935

CN(C)c1cccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2NC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.41
HTR7 P34969 9/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NOTUM Q6P988 1/20 0.36
PIK3CD O00329 1/20 0.35
MTOR P42345 1/20 0.35
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
ITK Q08881 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL6956776 0.89 MAP4K1 (0.42) MAP4K1PDE3BPDE3AALDH1A1HPGD
SCHEMBL6955333 0.87 POLB (0.42) HTR7PDE3BPDE3ATACR3ALDH1A1
SCHEMBL6966146 0.85 ABCG2 (0.43) HTR7PDE3BPDE3ATACR3ALDH1A1
SCHEMBL6963927 0.85 ABCG2 (0.45) HTR7ALDH1A1
SCHEMBL6966887 0.84 KIT (0.47) HTR7ALDH1A1HPGD
SCHEMBL6959295 0.84 MEN1 (0.42) MAP4K1PDE3BPDE3ATACR3ALDH1A1
SCHEMBL6959768 0.82 HTR7 (0.38) MAP4K1HTR7ALDH1A1HPGD
SCHEMBL6966641 0.81 TP53 (0.41) MAP4K1HTR7ALDH1A1HPGD
SCHEMBL6961941 0.81 MAPT (0.42) HTR7PDE3BPDE3ATACR3ALDH1A1
SCHEMBL6961528 0.80 HTR7 (0.48) MAP4K1HTR7ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed