SCHEMBL22394435

SCHEMBL22394435

CCOC(=O)c1cnn([C@H]2c3ccccc3C[C@@H]2O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ MAOB P27338 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ OPRK1 P41145 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
SCHEMBL20193899 1.00 OGA (0.41) OGAMEN1KMT2AMAPTATM
SCHEMBL22417213 0.87 ALKBH2 (0.35) HTT
SCHEMBL18355210 0.87 ACHE (0.31) HTT
SCHEMBL16835093 0.87 ALKBH2 (0.35) HTT
SCHEMBL18360565 0.84 OGA (0.43) OGAMEN1KMT2AMAPTATM
SCHEMBL18355083 0.81 OGA (0.34) OGA
SCHEMBL18355084 0.81 OGA (0.34) OGA
SCHEMBL18355180 0.78 — —
SCHEMBL16835035 0.78 — —
SCHEMBL16835234 0.71 P2RX7 (0.33) —

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
EP-3083601-B1 PIPERIDINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-09-09 — — EP disclosed
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