SCHEMBL7552767

SCHEMBL7552767

CC(C)(C)OC(=O)C(N)C1CCN(c2cc(NC3CC3)c(C(=O)N(N)C(=O)OC(C)(C)C)cc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ ACACB O00763 9/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL4515470 0.96 ALDH1A1 (0.33) ALDH1A1HTTMAPTDPP4ACACB
SCHEMBL7559233 0.85 TSHR (0.40) ALDH1A1HTTMAPTROCK2GPR119
SCHEMBL7511353 0.84 AAK1 (0.36) ALDH1A1HTTROCK2
SCHEMBL4517066 0.83 PDE6D (0.34) ALDH1A1HTTACACB
SCHEMBL7513215 0.81 ACACB (0.40) ACACB
SCHEMBL7513387 0.81 PIM1 (0.39) —
SCHEMBL4526756 0.80 F10 (0.34) ALDH1A1HTTMAPTDPP4ACACB
SCHEMBL7512228 0.80 KDM4D (0.33) ALDH1A1HTTROCK2
SCHEMBL4501896 0.79 ROCK2 (0.44) ALDH1A1HTTMAPTDPP4ROCK2
SCHEMBL4515472 0.78 IRAK1 (0.38) ACACB

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-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 — — WO disclosed
Send feedback