SCHEMBL29933338

SCHEMBL29933338

CN(C)c1cccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.50
CYP3A4 P08684 12/20 0.49
HSD17B10 Q99714 9/20 0.49
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 5/20 0.47
GPR119 Q8TDV5 3/20 0.47
HIF1A Q16665 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 9/20 0.46
TSHR P16473 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2C19 P33261 7/20 0.46
USP30 Q70CQ3 1/20 0.45
CYP1A2 P05177 7/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2D6 P10635 3/20 0.44
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL23411183 1.00 FFAR4 (0.50) FFAR4CYP3A4HSD17B10CYP11B2ALDH1A1
SCHEMBL29933185 0.84 CYP3A4 (0.53) FFAR4CYP3A4HSD17B10CYP11B2ALDH1A1
SCHEMBL23411493 0.84 CYP3A4 (0.53) FFAR4CYP3A4HSD17B10CYP11B2ALDH1A1
SCHEMBL23412152 0.84 CYP3A4 (0.64) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL23412056 0.80 CYP11B2 (0.48) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL29933258 0.80 CYP11B2 (0.48) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL31683385 0.78 CYP11B2 (0.51) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL29933261 0.78 GPR119 (0.62) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL19838586 0.78 CYP3A4 (0.66) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1
SCHEMBL22941336 0.78 GPR119 (0.65) CYP3A4HSD17B10CYP11B2ALDH1A1MAPK1

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