SCHEMBL13177461

SCHEMBL13177461

C=C1/C(=N\c2cccc(C(F)(F)F)c2)c2cc(-c3ccccc3)ccc2N1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 20/20 0.58
HTR4 Q13639 1/20 0.58
DRD5 P21918 2/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL917672 0.87 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL917671 0.87 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL3240615 0.77 GALR3 (0.87) GALR3HTR4DRD5ADRA1A
SCHEMBL918247 0.77 GALR3 (0.87) GALR3HTR4DRD5ADRA1A
SCHEMBL5359948 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL5359954 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL916932 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL918241 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL918243 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A
SCHEMBL916933 0.74 GALR3 (0.78) GALR3HTR4DRD5ADRA1A

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-1957067-B1 INDOLONE COMPOUNDS USEFUL TO TREAT COGNITIVE IMPAIRMENT HELICON THERAPEUTICS INC (US) 2010-09-08 EP disclosed