SCHEMBL23212933

SCHEMBL23212933

CCOC(=O)CC(c1cc(F)ccc1Br)C(C(=O)OCC)C(=O)OCC.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.33
POLB P06746 3/20 0.33
HK1 P19367 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.32
PRNP P04156 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL23210058 0.99 MAPT (0.36) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL23212921 0.91 ALDH1A1 (0.34) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL23210101 0.80 TSHR (0.45) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL7450364 0.75 MAPT (0.43) MAPTLMNAMEN1KMT2ACYP2C19
SCHEMBL12603183 0.74 APLNR (0.41) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL1526991 0.74 MAPT (0.38) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL1526990 0.74 MAPT (0.38) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL12603971 0.71 MEN1 (0.38) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL12494410 0.70 TSHR (0.42) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL12525146 0.70 MAPT (0.40) MAPTCYP1A2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041389-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed