SCHEMBL9053582

SCHEMBL9053582

C1=Cc2ccccc2C(=C2CCN(CCCCc3nnn[nH]3)CC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.59
HTR1A P08908 6/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 3/20 0.47
HTR6 P50406 3/20 0.47
HTR7 P34969 3/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
DRD1 P21728 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47

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
SCHEMBL9053127 0.99 SETD7 (0.61) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL9053843 0.97 SETD7 (0.57) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL9053971 0.85 SETD7 (0.56) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL9054448 0.82 SETD7 (0.49) SETD7HTR1ADRD2DRD3HTR7
SCHEMBL6256621 0.80 SETD7 (0.59) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL29367087 0.80 SETD7 (0.59) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL9036131 0.78 SETD7 (0.70) SETD7HTR1ADRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL7212357 0.77 SETD7 (0.68) SETD7HTR1ADRD2DRD3HTR2A
SCHEMBL7218739 0.77 SETD7 (0.75) SETD7HTR1ADRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL7218685 0.76 SETD7 (0.70) SETD7HTR1ADRD2DRD3HTR2A

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-0706522-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1996-04-17 EP disclosed
WO-1995001350-A1 TETRAZOLE DERIVATIVES HAVING ANTIHISTAMINIC AND ANTIALLERGIC ACTIVITY SUMITOMO METAL INDUSTRIES, LTD. (JP) 1995-01-12 WO disclosed