SCHEMBL20172716

SCHEMBL20172716

Cc1ccc(-c2ccc3c(c2)N(C)C(=O)CN3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.55
BRD4 O60885 1/20 0.45
CTSC P53634 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FYN P06241 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL13089147 0.87 BRPF1 (0.62) BRPF1BRD4CTSCSMN1; SMN2GAA
SCHEMBL14552559 0.79 CLK4 (0.46) BRPF1SMN1; SMN2GAACYP11B1CYP11B2
SCHEMBL22050042 0.76 BRPF1 (0.60) BRPF1BRD4SMN1; SMN2GAAALDH1A1
SCHEMBL20571810 0.76 BRPF1 (0.60) BRPF1BRD4CTSCSMN1; SMN2GAA
SCHEMBL30668102 0.76 BRPF1 (0.60) BRPF1BRD4CTSCSMN1; SMN2GAA
SCHEMBL7786930 0.76 BRPF1 (0.60) BRPF1BRD4CTSCSMN1; SMN2CYP1A2
SCHEMBL21013242 0.73 TRIM24 (0.46) CTSCTP53HPGDTRIM24
SCHEMBL10664661 0.73 PDE3A (0.53) BRPF1BRD4CTSCGAAHPGD
SCHEMBL4476006 0.72 BRPF1 (1.00) BRPF1BRD4SMN1; SMN2GAAALDH1A1
SCHEMBL30537994 0.72 BRPF1 (1.00) BRPF1BRD4SMN1; SMN2GAAALDH1A1

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-3323814-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2020-05-13 EP disclosed
EP-3323814-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2018-05-23 EP disclosed