SCHEMBL7671707

SCHEMBL7671707

CC(C)(C)OC(=O)NCCn1ccc2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.54
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
DRD2 P14416 5/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BRD4 O60885 1/20 0.47
IDO1 P14902 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7672969 0.86 MTNR1A (0.51) MTNR1AMTNR1BMAPTSMN1; SMN2TRPV1
SCHEMBL15862370 0.85 MTNR1A (0.50) MTNR1AMTNR1BMAPTSMN1; SMN2BRD4
SCHEMBL15861760 0.84 TRPV1 (0.53) MTNR1AMTNR1BMAPTSMN1; SMN2BRD4
SCHEMBL23116611 0.83 MAPK1 (0.67) MTNR1AMTNR1BMAPTSMN1; SMN2TRPV1
SCHEMBL18935522 0.80 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2BRD4MAPK1
SCHEMBL7679840 0.79 KMO (0.46) KMOMAPTSMN1; SMN2BRD4
SCHEMBL31130021 0.79 MTNR1A (0.44) MTNR1AMTNR1BDRD2SMN1; SMN2BRD4
SCHEMBL7679844 0.79 KMO (0.46) KMOMAPTSMN1; SMN2BRD4
SCHEMBL3417837 0.79 MTNR1A (0.50) MTNR1AMTNR1BSMN1; SMN2BRD4TRPV1
SCHEMBL31637422 0.78 BRD4 (0.44) MTNR1AMTNR1BDRD2BRD4

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
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed