SCHEMBL6959768

SCHEMBL6959768

COc1ccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2NC=O)cc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
KIT P10721 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP4K1 Q92918 4/20 0.37
LCK P06239 3/20 0.37
MAP4K3 Q8IVH8 3/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
SCD5 Q86SK9 1/20 0.36
DRD3 P35462 5/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6961528 0.90 HTR7 (0.48) HTR7KITMAPTALDH1A1RECQL
SCHEMBL6956776 0.83 MAP4K1 (0.42) MAPTALDH1A1MAP4K1GFERDRD3
SCHEMBL6956631 0.83 MAPT (0.44) MAPTALDH1A1RECQLTDP1MAP4K1
SCHEMBL6952935 0.82 MAP4K1 (0.41) HTR7ALDH1A1MAP4K1HPGD
SCHEMBL6966887 0.82 KIT (0.47) HTR7KITMAPTALDH1A1RECQL
SCHEMBL6966395 0.81 FYN (0.43) HTR7MAPTALDH1A1TDP1MAP4K1
SCHEMBL6959295 0.80 MEN1 (0.42) MAPTALDH1A1MAP4K1DRD3DRD2
SCHEMBL6959773 0.80 KIT (0.38) HTR7KITMAPTALDH1A1RECQL
SCHEMBL6966641 0.79 TP53 (0.41) HTR7MAPTALDH1A1MAP4K1RAB9A
SCHEMBL6955333 0.79 POLB (0.42) HTR7MAPTALDH1A1RAB9AKDM4E

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-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US claimed
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed