SCHEMBL7160145

SCHEMBL7160145

CCOc1noc(-c2nc[nH]n2)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CHRM3 P20309 3/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
LRRK2 Q5S007 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8522264 0.79
Water SCHEMBL7165823 0.71 GRIA1 (0.50)
SCHEMBL7374814 0.71 TP53 (0.43) NPC1RAB9AHSD17B10
SCHEMBL7374475 0.68 HTR2A (0.41) HTR2AHTR2CCHRM3CHRM2CHRM4
SCHEMBL7375751 0.68 ADORA3 (0.38) HTR2AHTR2CCHRM3NPC1RAB9A
SCHEMBL7370168 0.67 KDM4E (0.46) NPC1RAB9AHSD17B10
SCHEMBL7161588 0.63 KDM4E (0.36) HTR2AHTR2CCHRM3CHRM2CHRM4
SCHEMBL7366104 0.62 HTR2A (0.37) HTR2AHTR2CCHRM3CHRM2CHRM4
SCHEMBL31226204 0.61 HTT (0.36) CHRM3NPC1RAB9ACHRM2CHRM4
SCHEMBL7165046 0.61 HTR2A (0.36) HTR2AHTR2CCHRM3CHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934286-B1 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS LUNDBECK & CO AS H (DK) 2003-01-08 EP disclosed
US-6200999-B1 ALZHEIMER*S, HUNTINGTON*S, AND PARKINSON*S DISEASE; ANTIEPILEPTIC, ANALGESIC, ANXIOLYTIC, ANTIISCHEMIC AND ANTIDEPRESSANT AGENTS; NMDA AND AMPA RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2001-03-13 US disclosed