SCHEMBL5725518

SCHEMBL5725518

CN[C@@H]1CCCc2onc(OCOC(=O)C(C)(C)C)c21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5727925 1.00 ENO1 (0.31) ENO1LMNASMN1; SMN2
SCHEMBL5724682 0.86 GAA (0.34) LMNASMN1; SMN2
SCHEMBL7976972 0.81 DHODH (0.37) LMNA
SCHEMBL5724839 0.78 CHRM3 (0.45) SMN1; SMN2
SCHEMBL5724983 0.77
SCHEMBL5725539 0.71 HTR2C (0.47) LMNA
SCHEMBL5725534 0.71 HTR2C (0.47) LMNA
SCHEMBL5725988 0.70 ENO1 (0.31) ENO1
SCHEMBL5725991 0.70 ENO1 (0.31) ENO1
SCHEMBL7978989 0.68 POLB (0.38) ENO1

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
EP-0812318-B1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2006-02-08 EP disclosed
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
US-5998613-A PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 1999-12-07 US disclosed