SCHEMBL9053675

SCHEMBL9053675

Clc1ccc(-c2ccccc2C=C2CCN(CCCc3nnn[nH]3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
MC4R P32245 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL9054642 0.97 SIGMAR1 (0.39) PARP1MC4RDRD2DRD4DRD3
SCHEMBL9054797 0.83 HTR7 (0.47) MC4RDRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL9055470 0.82 HTR7 (0.46) MC4RDRD2DRD4DRD3SIGMAR1
SCHEMBL8316880 0.80 HRH3 (0.39) DRD2DRD3SIGMAR1HTR1AHTR7
SCHEMBL9055689 0.76 CARM1 (0.48) PARP1MC4RDRD2DRD4DRD3
SCHEMBL9053857 0.74 CARM1 (0.48) PARP1MC4RDRD2DRD4DRD3
SCHEMBL9053666 0.73 OPRM1 (0.43) PARP1DRD2DRD4DRD3SIGMAR1
SCHEMBL9054788 0.71 DRD3 (0.55) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL9054632 0.71 OPRM1 (0.43) DRD2DRD4DRD3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL9055462 0.70 DRD3 (0.54) DRD2DRD4DRD3HTR1AHTR7

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