SCHEMBL31056846

SCHEMBL31056846

CC(C)(C)OC(=O)Nc1cc(C2CN(CC(F)F)CCN2)ccc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.33
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BACE1 P56817 2/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ACHE P22303 1/20 0.31
CCR2 P41597 5/20 0.31
CCR5 P51681 1/20 0.31
RORC P51449 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL29320350 0.92 ALDH1A1 (0.36) PDE4B
SCHEMBL29323913 0.80 RORC (0.33) MC4RMC5RPRMT5WDR77RORC
SCHEMBL31056475 0.79 TMEM97 (0.42) PDE4BTMEM97SIGMAR1
SCHEMBL29323240 0.75 CA12 (0.39) TMEM97SIGMAR1
SCHEMBL29320347 0.75 ALDH1A1 (0.38) PDE4BBACE1ACHE
SCHEMBL29320165 0.74 XIAP (0.34) TMEM97SIGMAR1CCR2CCR5
SCHEMBL29324631 0.74 ALDH1A1 (0.36) PRMT5WDR77TMEM97SIGMAR1CCR5
SCHEMBL30109296 0.73 HTR7 (0.35) MC4RMC5RCCR5
SCHEMBL31269556 0.71 XIAP (0.41)
SCHEMBL30109126 0.71 XIAP (0.41)

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed