SCHEMBL5806151

SCHEMBL5806151

COCn1c(C)c(C)c2ccnc(OCC(C)C)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
KCNH2 Q12809 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
Hydrochloric Acid SCHEMBL5810471 0.99 MAOA (0.33) MAOAKCNH2DYRK1A
Hydrochloric Acid SCHEMBL5811396 0.88 MAOA (0.32) MAOADYRK1A
SCHEMBL5806831 0.88 MAOA (0.35) MAOAKCNH2DYRK1A
SCHEMBL5810011 0.87 KMT2A (0.35) MAOADYRK1A
SCHEMBL5806968 0.86 DYRK1A (0.35) MAOADYRK1A
Hydrochloric Acid SCHEMBL5805951 0.86 MAOA (0.34) MAOAKCNH2DYRK1A
Hydrochloric Acid SCHEMBL5810379 0.86 TDP1 (0.30)
Hydrochloric Acid SCHEMBL5806152 0.86 KMT2A (0.34) MAOADYRK1A
Hydrochloric Acid SCHEMBL5806051 0.85 DYRK1A (0.34) MAOADYRK1A
SCHEMBL5809117 0.85 DYRK1A (0.35) MAOADYRK1A

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed