SCHEMBL5724743

SCHEMBL5724743

Cc1ccccc1C(=CCCN(C)[C@@H]1CCCc2onc(O)c21)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 8/20 0.36

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
SCHEMBL5725797 0.87 SLC6A1 (0.34) SLC6A1
SCHEMBL5724740 0.78 SLC6A1 (0.36) SLC6A1
SCHEMBL5724739 0.77 KDM4E (0.34)
SCHEMBL5724742 0.77 KDM4E (0.34)
SCHEMBL8351794 0.77 SLC6A2 (0.48)
SCHEMBL5724872 0.73 HTR2A (0.40)
SCHEMBL7966539 0.69 CHRNB2 (0.33)
SCHEMBL7966536 0.69 CHRNB2 (0.33)
SCHEMBL5725795 0.68 SLC6A1 (0.34) SLC6A1
SCHEMBL5725511 0.67 TBXA2R (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 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