SCHEMBL29933261

SCHEMBL29933261

Cc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.62
CYP2C19 P33261 5/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP11B2 P19099 1/20 0.51
CYP3A4 P08684 7/20 0.50
ALDH1A1 P00352 5/20 0.50
USP2 O75604 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP1A2 P05177 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL20842160 0.94 GPR119 (0.57) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL31683385 0.90 CYP11B2 (0.51) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL23412152 0.88 CYP3A4 (0.64) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL23411518 0.88 CYP3A4 (0.55) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL485072 0.86 CYP3A4 (0.67) CYP2C19KMT2AMEN1SMN1; SMN2CYP11B2
SCHEMBL2694775 0.85 SMN1; SMN2 (0.47) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL2694620 0.84 SMN1; SMN2 (0.47) GPR119CYP2C19KMT2AMEN1SMN1; SMN2
SCHEMBL23412056 0.84 CYP11B2 (0.48) GPR119CYP2C19CYP11B2CYP3A4ALDH1A1
SCHEMBL29933258 0.84 CYP11B2 (0.48) GPR119CYP2C19CYP11B2CYP3A4ALDH1A1
SCHEMBL27031070 0.84 GPR119 (0.60) GPR119CYP2C19KMT2AMEN1SMN1; SMN2

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
CN-115210238-B Substituted aminoquinolones as dgkα inhibitors for immune activation 拜耳公司 2024-08-27 CN disclosed
CN-115210238-A Substituted aminoquinolones as DGK alpha inhibitors for immune activation 拜耳公司 2022-10-18 CN disclosed