SCHEMBL16795221

SCHEMBL16795221

CC1(C)OB(c2cc(O)cc(CNC3CCN(CCCN4CCCCC4)CC3)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
CARM1 Q86X55 6/20 0.35
PRMT6 Q96LA8 6/20 0.35
CYP2C9 P11712 1/20 0.35
ACHE P22303 6/20 0.35
BACE1 P56817 6/20 0.35
PRMT8 Q9NR22 1/20 0.34
BCHE P06276 4/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL16795137 0.86 ACHE (0.34) CARM1PRMT6ACHEBACE1PRMT8
SCHEMBL16795329 0.84 ALDH1A1 (0.43) HRH3CYP2C9HIF1A
SCHEMBL16795306 0.77 CARM1 (0.47) HRH3CARM1PRMT6CYP2C9ACHE
SCHEMBL16795229 0.76 CXCR3 (0.36) ACHEBACE1BCHEHIF1A
SCHEMBL16795178 0.76 ALDH1A1 (0.37) HRH3
SCHEMBL16795410 0.72 L3MBTL3 (0.42)
SCHEMBL18580408 0.70 LPL (0.47) CARM1PRMT6ACHEBACE1PRMT8
SCHEMBL18580127 0.69 LPL (0.46) HRH3CARM1PRMT6ACHEBACE1
SCHEMBL16795407 0.66 KDM4E (0.44)
SCHEMBL28690594 0.66 HRH3 (0.53) HRH3

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed