SCHEMBL22368332

SCHEMBL22368332

CSC(C)C1CNCC1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.50
FUCA1 P04066 4/20 0.44
GLA P06280 2/20 0.44
GLB1 P16278 1/20 0.44
MAN1B1 Q9UKM7 1/20 0.42
GAA P10253 1/20 0.39
PYGL P06737 1/20 0.30
GBA2 Q9HCG7 1/20 0.30

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
SCHEMBL7404065 0.77
SCHEMBL22768152 0.77
SCHEMBL17037474 0.77
SCHEMBL7405332 0.75
SCHEMBL23775007 0.70 GBA1 (0.53) GBA1FUCA1GLAGLB1MAN1B1
SCHEMBL6856714 0.68 GBA1 (0.72) GBA1FUCA1GLAGLB1MAN1B1
SCHEMBL20016401 0.68 GBA1 (0.72) GBA1FUCA1GLAGLB1MAN1B1
SCHEMBL6431779 0.68 GBA1 (0.72) GBA1FUCA1GLAGLB1MAN1B1
SCHEMBL16845146 0.68 GBA1 (0.48) GBA1FUCA1GLAGLB1MAN1B1
SCHEMBL21216447 0.67

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-3390374-B1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed