SCHEMBL5726317

SCHEMBL5726317

CCOCOc1noc2c1C(N(C)C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ASGR1 P07306 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL5726325 1.00 ASGR1 (0.32) ASGR1HTR2AHTR2CSLC6A4
SCHEMBL5724973 0.92 CHRM3 (0.36) ASGR1HTR2AHTR2CSLC6A4
SCHEMBL5724970 0.92 CHRM3 (0.36) ASGR1HTR2AHTR2CSLC6A4
SCHEMBL5724983 0.87
SCHEMBL5725895 0.82 HTR2C (0.40) HTR2AHTR2CSLC6A4
SCHEMBL5725903 0.82 HTR2C (0.40) HTR2AHTR2CSLC6A4
SCHEMBL5726213 0.80 KDM4D (0.32) ASGR1
SCHEMBL5725149 0.80 KDM4D (0.32) ASGR1
SCHEMBL5725214 0.75 BUB1 (0.32)
SCHEMBL5725213 0.75 BUB1 (0.32)

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