SCHEMBL11273684

SCHEMBL11273684

COC(=O)CC(O)(CC(=O)O)C(=O)O.c1ccc(N2CCN(CCc3nc4ccc5ccccc5c4[nH]3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.44
HTR1A P08908 6/20 0.43
HTR7 P34969 5/20 0.43
DRD3 P35462 7/20 0.43
DRD2 P14416 5/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10600153 0.82 PARP1 (0.58) PARP1HTR1AHTR7DRD3DRD2
Citric Acid SCHEMBL11067205 0.77 PDE10A (0.44) PARP1HTR1AHTR7DRD3DRD2
Citric Acid SCHEMBL11067947 0.70 HTR7 (0.48) HTR1AHTR7DRD3DRD2DRD4
Centhaquine SCHEMBL29991187 0.67 DRD3 (0.56) HTR1ADRD3DRD2DRD4HTR2A
Citric Acid SCHEMBL10604868 0.67 HTR7 (0.47) HTR1AHTR7DRD3DRD2HTR2A
SCHEMBL11065952 0.66 PARP1 (0.53) PARP1HTR1AHTR7DRD3DRD2
SCHEMBL712211 0.66 PARP1 (0.53) PARP1HTR1AHTR7DRD3DRD2
SCHEMBL11073089 0.65 PDE10A (0.48) PARP1HTR1AHTR7DRD3DRD2
SCHEMBL11847564 0.65 PARP1 (0.62) PARP1HTR1AHTR7DRD2HTR2A
SCHEMBL8689425 0.64 DRD4 (0.76) PARP1HTR1AHTR7DRD3DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed