SCHEMBL22650491

SCHEMBL22650491

CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(F)c2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ENPP2 Q13822 2/20 0.41
ESR2 Q92731 1/20 0.41
HDAC2 Q92769 4/20 0.39
HDAC1 Q13547 3/20 0.39
USP30 Q70CQ3 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
PDK2 Q15119 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
ADORA1 P30542 1/20 0.38
DPP4 P27487 1/20 0.38
NAMPT P43490 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
SCHEMBL1583728 0.88 ESR2 (0.44) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL22650348 0.87 NR1H2 (0.46) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL29990901 0.87 MAPT (0.46) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL22650415 0.87 MAPT (0.46) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL29709677 0.87 NR1H2 (0.46) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL1663275 0.86 GALR2 (0.43) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL26629245 0.86 NR1H2 (0.46) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL25088458 0.85 ENPP2 (0.43) NR1H2MAPTALDH1A1LMNAENPP2
SCHEMBL3312798 0.85 MAPT (0.45) NR1H2MAPTALDH1A1LMNAESR2
SCHEMBL31129834 0.85 NR1H2 (0.46) NR1H2MAPTALDH1A1LMNAENPP2

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
WO-2025021189-A1 OXYGEN-CONTAINING FUSED TRICYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2025-01-30 WO disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed