SCHEMBL285782

SCHEMBL285782

Cc1onc(-c2ccccn2)c1CCc1ncc(C(=O)OCC(N)=O)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.47
ITGA5 P08648 2/20 0.41
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL285743 0.88 GABRA5 (0.48) GABRA5ITGA5ALDH1A1
SCHEMBL285542 0.88 GABRA5 (0.58) GABRA5ITGA5ALDH1A1
SCHEMBL286176 0.87 GABRA5 (0.49) GABRA5
SCHEMBL286159 0.85 LMNA (0.47) GABRA5ITGA5POLBALOX15TSHR
SCHEMBL285738 0.85 GABRA5 (0.54) GABRA5ITGA5ALDH1A1KDM4E
SCHEMBL285528 0.84 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL18092068 0.82 GABRA5 (0.48) GABRA5ITGA5ADORA3ALDH1A1GLA
SCHEMBL285529 0.80 GABRA5 (0.47) GABRA5ITGA5POLBKDM4ENPC1
SCHEMBL285781 0.80 GABRA5 (0.47) GABRA5ITGA5
SCHEMBL286107 0.80 GABRA5 (0.60) GABRA5ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed