SCHEMBL29187129

SCHEMBL29187129

CC(C)(C)OC(=O)N1CCOCC1c1cc(NC(=O)OCc2ccccc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RORC P51449 5/20 0.42
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
MALT1 Q9UDY8 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKDC P78527 1/20 0.41
ROCK2 O75116 1/20 0.40
KLK7 P49862 1/20 0.40
MGLL Q99685 1/20 0.39
LRRK2 Q5S007 1/20 0.39
F10 P00742 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
SCHEMBL29187044 0.86 POLB (0.41) POLBRORCNPC1ALDH1A1TP53
SCHEMBL29187041 0.86 POLB (0.41) POLBRORCNPC1ALDH1A1TP53
SCHEMBL29187071 0.77 MALT1 (0.41) POLBMALT1ALDH1A1MAPTTSHR
SCHEMBL24707503 0.77 NR1H2 (0.41) MALT1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL30001333 0.77 NR1H2 (0.41) MALT1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL29679482 0.76 GPR119 (0.46) POLBMALT1NPC1ALDH1A1TSHR
SCHEMBL19056526 0.76 ABCB1 (0.49) MAPTKLK7
SCHEMBL30001372 0.76 POLB (0.46) POLBNPC1ALDH1A1TP53MAPT
SCHEMBL31646183 0.73 KLK7 (0.40) TMEM97SIGMAR1MALT1ALDH1A1MAPT
SCHEMBL5730247 0.73 GFER (0.45) TMEM97SIGMAR1ALDH1A1MAPTTSHR

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
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed