SCHEMBL5806035

SCHEMBL5806035

CCOCCn1c(C)c(C)c2ccnc(CN(C(=O)OC(C)(C)C)c3ccc(F)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
SLC6A9 P48067 1/20 0.30
F2 P00734 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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 SCHEMBL5806030 0.99 SSTR4 (0.34) SSTR4SLC6A9
SCHEMBL5806121 0.86 SSTR4 (0.38) SSTR4F2HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL5806114 0.85 SSTR4 (0.38) SSTR4F2HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL5812084 0.83 HTR2C (0.38) SSTR4HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL5810879 0.82 SSTR4 (0.34) SSTR4F2HDAC1HDAC8HDAC6
SCHEMBL5812076 0.82 CACNA1H (0.35) SSTR4
SCHEMBL1737580 0.82 MAPK14 (0.33) SLC6A9
Hydrochloric Acid SCHEMBL5812078 0.82 CACNA1H (0.34) SSTR4
Hydrochloric Acid SCHEMBL5806366 0.81 HDAC1 (0.36) SSTR4F2HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL1737646 0.81 MAPK14 (0.32) SLC6A9

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