SCHEMBL8000933

SCHEMBL8000933

NC(N)=NCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 5/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
Guanethidine SCHEMBL34754 1.00 LMNA (1.00) LMNAL3MBTL1HRH3ALDH1A1TSHR
Sulfuric Acid SCHEMBL11726252 0.90 LMNA (0.81) LMNAL3MBTL1HRH3ALDH1A1TSHR
Guanethidine SCHEMBL11658850 0.90 LMNA (0.81) LMNAL3MBTL1HRH3ALDH1A1TSHR
Guanethidine SCHEMBL4332009 0.90 LMNA (0.81) LMNAL3MBTL1HRH3ALDH1A1TSHR
Sulfuric Acid SCHEMBL11365481 0.88 LMNA (0.78) LMNAL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL2486864 0.87 LMNA (0.77) LMNAL3MBTL1HRH3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3667165 0.86 LMNA (0.75) LMNAHRH3CYP1A2
SCHEMBL2490640 0.84 LMNA (0.73) LMNAL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL6681216 0.83 LMNA (0.70) LMNAL3MBTL1HRH3ALDH1A1TSHR
SCHEMBL8120185 0.83 LMNA (0.70) LMNAHRH3CYP1A2SIGMAR1

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
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO disclosed