SCHEMBL10555618

SCHEMBL10555618

Cc1ccc(Cc2nn(C3CCCN(Cc4ccccc4)CC3)c(=O)c3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.65
HRH1 P35367 15/20 0.65
ADRA1B P35368 15/20 0.65
HRH3 Q9Y5N1 10/20 0.65
DRD3 P35462 3/20 0.65
ADRA2A P08913 2/20 0.65
CHRM1 P11229 2/20 0.65
ADRA2B P18089 2/20 0.65
HTR2A P28223 2/20 0.65
ABCB1 P08183 2/20 0.65
KCNH2 Q12809 2/20 0.65
CHRM2 P08172 1/20 0.65
ADRB1 P08588 1/20 0.65
CYP2D6 P10635 1/20 0.65
GABRA1 P14867 1/20 0.65
ADRA2C P18825 1/20 0.65
SLC6A2 P23975 1/20 0.65
HTR2C P28335 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRM1 P35372 1/20 0.65

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
SCHEMBL10375081 0.91 ADRA1A (0.75) ADRA1AHRH1ADRA1BHRH3DRD3
SCHEMBL10557080 0.90 ADRA1A (0.64) ADRA1AHRH1ADRA1BHRH3DRD3
SCHEMBL10554910 0.87 ADRA1A (0.62) ADRA1AHRH1ADRA1BHRH3DRD3
SCHEMBL10372558 0.83 ADRA1A (0.79) ADRA1AHRH1ADRA1BHRH3DRD3
Formic Acid SCHEMBL2821267 0.82 ADRA1A (0.68) ADRA1AHRH1ADRA1BHRH3DRD3
SCHEMBL2821269 0.81 ADRA1A (0.74) ADRA1AHRH1ADRA1BHRH3DRD3
Flezelastine SCHEMBL62291 0.81 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3DRD3
Flezelastine SCHEMBL29687099 0.81 ADRA1A (0.66) ADRA1AHRH1ADRA1BHRH3DRD3
SCHEMBL2821905 0.80 ADRA1A (0.86) ADRA1AHRH1ADRA1BHRH3DRD3
Flezelastine SCHEMBL219748 0.80 ADRA1A (0.65) ADRA1AHRH1ADRA1BHRH3DRD3

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
US-4841047-A ANTIALLERGENS AASTA PHARMA AG (DE) 1989-06-20 US disclosed
EP-0222191-A1 4-Benzyl-1-2(H)-phthalazinone derivatives ASTA Pharma AG (DE) 1987-05-20 EP disclosed