SCHEMBL29079682

SCHEMBL29079682

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)C1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
ALDH1A1 P00352 5/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.45
ENPP2 Q13822 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
AKR1C3 P42330 1/20 0.39
CNR1 P21554 1/20 0.38
LIPE Q05469 1/20 0.38
PRKCQ Q04759 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
SCHEMBL17626047 0.86 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6910042 0.86 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL17636790 0.86 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL16824931 0.83 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2ENPP2
SCHEMBL18186257 0.83 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2ENPP2
SCHEMBL18186392 0.83 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2ENPP2
SCHEMBL38662270 0.83 GPR119 (0.46) MAPTALDH1A1LMNAGPR119LIPE
SCHEMBL23887676 0.82 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18186332 0.82 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL16824914 0.82 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116406259-A Dosage form compositions comprising inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2023-07-07 CN disclosed
EP-4196124-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-06-21 EP disclosed
WO-2022036171-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2022-02-17 WO disclosed