SCHEMBL25659873

SCHEMBL25659873

CC1CN(c2ccc(N)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.66
MAP4K4 O95819 2/20 0.64
GPR119 Q8TDV5 3/20 0.51
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GRM1 Q13255 4/20 0.46
SUV39H2 Q9H5I1 1/20 0.41

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
SCHEMBL15986821 1.00 HDAC1 (0.66) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL30427129 1.00 HDAC1 (0.66) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL18822849 1.00 HDAC1 (0.66) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL31045861 0.86 GRM1 (0.61) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL30767297 0.86 HDAC1 (0.60) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL20141579 0.86 GRM1 (0.61) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL18149853 0.86 HDAC1 (0.60) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL18149851 0.86 HDAC1 (0.60) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL31552986 0.86 HDAC1 (0.60) HDAC1MAP4K4GPR119HDAC2HDAC3
SCHEMBL16026429 0.85 HDAC1 (0.67) HDAC1MAP4K4GPR119HDAC2HDAC3

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-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed