SCHEMBL7607645

SCHEMBL7607645

Cc1cc(N2CCC(NC(=O)OC(C)(C)C)C2)ccc1NC(=O)C[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
SUV39H2 Q9H5I1 11/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PSMD14 O00487 1/20 0.39
USP2 O75604 1/20 0.39
MMP2 P08253 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
IGF1R P08069 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
SCHEMBL7667240 0.81 P2RX7 (0.47) HRH3SUV39H2PIM1PIM3PIM2
SCHEMBL7554643 0.81 WNT3A (0.48) PSMD14USP2MMP2
SCHEMBL6486070 0.77 SUV39H2 (0.50) SUV39H2PIM1PIM3PIM2
SCHEMBL7242505 0.77 SUV39H2 (0.50) SUV39H2HDAC3HDAC1HDAC2PIM1
SCHEMBL25453975 0.76 SUV39H2 (0.55) SUV39H2PIM1PIM3PIM2
SCHEMBL7554394 0.75 GFER (0.49) HRH3PSMD14USP2MMP2
SCHEMBL7235725 0.75 SUV39H2 (0.48) SUV39H2HDAC3HDAC1HDAC2PIM1
SCHEMBL1350984 0.75 SUV39H2 (0.48) SUV39H2PIM1PIM3PIM2
SCHEMBL1350982 0.75 SUV39H2 (0.48) SUV39H2PIM1PIM3PIM2
SCHEMBL7235706 0.74 HPGD (0.48) SUV39H2PIM1PIM3PIM2

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-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO disclosed