SCHEMBL5805601

SCHEMBL5805601

Cc1[nH]c2c(N3CCC(N4CCCCC4)CC3)nccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.44
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 10/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
OPRK1 P41145 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
SCHEMBL5811008 0.87 DYRK1A (0.54) DYRK1AALDH1A1LMNAHTTHIF1A
Hydrochloric Acid SCHEMBL5810349 0.86 DYRK1A (0.53) DYRK1AALDH1A1LMNAHTTHIF1A
SCHEMBL5808653 0.78 SLC6A3 (0.43) DYRK1AALDH1A1KDM4E
SCHEMBL5807515 0.77 DYRK1A (0.41) DYRK1AALDH1A1LMNAHTTHIF1A
Hydrochloric Acid SCHEMBL5805954 0.72 HRH3 (0.37) L3MBTL3L3MBTL1HRH3MBTD1OPRK1
SCHEMBL5806746 0.72 PDE3A (0.47) DYRK1A
Hydrochloric Acid SCHEMBL5810956 0.71 HRH3 (0.38) KCNH2L3MBTL3L3MBTL1HRH3OPRK1
SCHEMBL5811713 0.70 HRH3 (0.36) L3MBTL3L3MBTL1HRH3OPRK1
Hydrochloric Acid SCHEMBL5808672 0.69 HRH3 (0.35) L3MBTL3L3MBTL1HRH3OPRK1
Hydrochloric Acid SCHEMBL5806874 0.69 HRH3 (0.48) ALDH1A1L3MBTL3L3MBTL1HRH3MBTD1

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