SCHEMBL31612680

SCHEMBL31612680

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(C(F)(F)F)cc3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.48
MAPT P10636 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
P2RY14 Q15391 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ENPP2 Q13822 1/20 0.40
MMP13 P45452 1/20 0.40
ESR2 Q92731 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LIPE Q05469 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL15933697 0.88 GPR119 (0.47) HDAC4GPR119ESR2
SCHEMBL20140942 0.86 CKS1B (0.49) HDAC4MAPTGPR119ESR2DPP4
SCHEMBL31612664 0.85 MAPT (0.40) HDAC4MAPTGPR119HDAC6
SCHEMBL24689567 0.84 NR1H2 (0.43) HDAC4GPR119ESR2DPP4DPP8
SCHEMBL15933535 0.84 GPR119 (0.49) HDAC4GPR119ESR2
SCHEMBL15933477 0.83 HDAC4 (0.40) HDAC4GPR119HDAC6ESR2DPP4
SCHEMBL17984905 0.82 ESR2 (0.40) HDAC4MAPTHDAC6ESR2DPP4
SCHEMBL15933643 0.81 GPR119 (0.45) HDAC4MAPTGPR119ESR2ALDH1A1
SCHEMBL31612675 0.81 TEAD1 (0.42) DPP4DPP8DPP7BCHEACHE
SCHEMBL3133282 0.79 DPP4 (0.46) HDAC4MAPTGPR119ESR2DPP4

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
CN-120118087-A Preparation and application of PARP7 inhibitor 药雅科技(上海)有限公司 2025-06-10 CN disclosed