SCHEMBL9054448

SCHEMBL9054448

c1ccc2c(c1)Oc1ccccc1C2=C1CCN(CCCc2nnn[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.49
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
PARP1 P09874 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
DRD4 P21917 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32

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
SCHEMBL9053843 0.85 SETD7 (0.57) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL9053582 0.82 SETD7 (0.59) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL9053127 0.81 SETD7 (0.61) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL9053460 0.72 P2RX7 (0.47) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL11600139 0.71 SETD7 (0.58) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL9053971 0.71 SETD7 (0.56) SETD7DRD2DRD3HTR1AHTR7
SCHEMBL10194165 0.70 DRD3 (0.51) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL9054797 0.70 HTR7 (0.47) DRD2DRD3HTR7SIGMAR1DRD4
SCHEMBL9061799 0.70
Hydrochloric Acid SCHEMBL11600821 0.70 SETD7 (0.57) SETD7DRD2DRD3HTR1AHTR7

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