SCHEMBL9054642

SCHEMBL9054642

Clc1ccc(-c2ccccc2C=C2CCN(CCCCc3nnn[nH]3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
PARP1 P09874 2/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
DRD5 P21918 1/20 0.34
MC4R P32245 1/20 0.34
DRD4 P21917 2/20 0.34
HTR2C P28335 2/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9053675 0.97 PARP1 (0.38) SIGMAR1HTR1AHTR7PARP1DRD2
SCHEMBL9054797 0.80 HTR7 (0.47) SIGMAR1HTR7DRD2DRD3MC4R
SCHEMBL8316880 0.79 HRH3 (0.39) SIGMAR1HTR1AHTR7DRD2DRD3
Hydrochloric Acid SCHEMBL9055470 0.79 HTR7 (0.46) SIGMAR1HTR7DRD2DRD3MC4R
SCHEMBL9053857 0.77 CARM1 (0.48) HTR1AHTR7PARP1DRD2DRD3
SCHEMBL9054632 0.74 OPRM1 (0.43) SIGMAR1HTR1AHTR7DRD2DRD3
SCHEMBL9055689 0.74 CARM1 (0.48) HTR7PARP1DRD2DRD3MC4R
SCHEMBL9053666 0.71 OPRM1 (0.43) SIGMAR1HTR1AHTR7PARP1DRD2
SCHEMBL9053582 0.70 SETD7 (0.59) SIGMAR1HTR1AHTR7DRD2DRD3
SCHEMBL9053127 0.69 SETD7 (0.61) SIGMAR1HTR1AHTR7DRD2DRD3

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