SCHEMBL4129418

SCHEMBL4129418

OC1CNC(NCc2ccccc2)C1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 7/20 0.59
FUCA1 P04066 2/20 0.49
GBA1 P04062 8/20 0.46
GLB1 P16278 1/20 0.46
GBA2 Q9HCG7 1/20 0.46
MAN2A1 Q16706 5/20 0.42
MC4R P32245 1/20 0.41
FYN P06241 1/20 0.41
MAN2B1 O00754 1/20 0.40

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
SCHEMBL6617559 0.71 MC4R (0.50) MAN1B1FUCA1GBA1MC4RFYN
SCHEMBL19881542 0.71 MC4R (0.50) MAN1B1FUCA1GBA1MC4RFYN
SCHEMBL21578196 0.70 MAN1B1 (0.64) MAN1B1GBA1GLB1GBA2MAN2A1
SCHEMBL21578194 0.70 MAN1B1 (0.64) MAN1B1GBA1GLB1GBA2MAN2A1
SCHEMBL20470481 0.70 MAN1B1 (0.64) MAN1B1GBA1GLB1GBA2MAN2A1
SCHEMBL21578193 0.70 MAN1B1 (0.64) MAN1B1GBA1GLB1GBA2MAN2A1
SCHEMBL8322192 0.69 FUCA1 (0.56) FUCA1FYN
SCHEMBL8322195 0.69 FUCA1 (0.56) FUCA1FYN
SCHEMBL28716809 0.69 GRIN2B (0.55) FUCA1FYN
SCHEMBL9369608 0.68 FUCA1 (0.47) MAN1B1FUCA1GBA1MC4R

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
WO-2009118712-A2 NOVEL DIHYDROXYPYRROLIDINE DERIVATIVES AS ANTI-CANCER AGENTS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2009-10-01 WO disclosed
WO-2009072062-A2 NOVEL DERIVATIVES OF DIHYDROXYPYRROLIDINE AS ANTI-CANCER COMPOUNDS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2009-06-11 WO disclosed
EP-2067771-A1 Derivatives of Dihydroxypyrrolidine as Anti-Cancer Compounds EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2009-06-10 EP disclosed