SCHEMBL7978989

SCHEMBL7978989

CN[C@@H]1CCCc2on(CCOC(=O)C(C)(C)C)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.31
ENO1 P06733 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
SCHEMBL5725988 0.89 ENO1 (0.31) ACHEENO1
SCHEMBL5725991 0.89 ENO1 (0.31) ACHEENO1
SCHEMBL5725518 0.68 ENO1 (0.31) ENO1
SCHEMBL14865371 0.64 POLB (0.53) POLBGAANPSR1ENO1
SCHEMBL5725264 0.63 SMN1; SMN2 (0.41) GAANPSR1
SCHEMBL5725261 0.63 SMN1; SMN2 (0.41) GAANPSR1
SCHEMBL18457392 0.63 POLB (0.48) POLBGAANPSR1
SCHEMBL19302551 0.59 POLB (0.43) POLBGAANPSR1
SCHEMBL9625099 0.58 NPSR1 (0.47) POLBGAANPSR1
SCHEMBL15248890 0.57 KMT2A (0.47) POLBGAANPSR1

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
US-6174909-B1 FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE H. LUNDBECK A/S (DK) 2001-01-16 US disclosed