SCHEMBL5724890

SCHEMBL5724890

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32

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
SCHEMBL7980246 1.00 HTR1A (0.32) HTR1A
SCHEMBL7983339 0.81 NPC1 (0.34)
Bromide SCHEMBL5725879 0.72 LMNA (0.36)
SCHEMBL2439715 0.67
SCHEMBL5725809 0.66 DHODH (0.35)
SCHEMBL27361170 0.65 KMT2A (0.33) HTR1A
SCHEMBL7978641 0.63 MEN1 (0.32)
SCHEMBL27496291 0.61 CA1 (0.36) HTR1A
SCHEMBL361398 0.59 HTR1A (0.56) HTR1A
SCHEMBL6422888 0.56 KMT2A (0.31) HTR1A

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