SCHEMBL3454502

SCHEMBL3454502

CCS(=O)(=O)c1ccc(C2=CNC(C3CCNCC3)C=C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.34
GAA P10253 1/20 0.32
MLNR O43193 3/20 0.31
CYP2D6 P10635 1/20 0.31
CTSC P53634 2/20 0.31
JAK2 O60674 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
KIF11 P52732 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
SCHEMBL3454571 0.74 CTSC (0.34) CTSCMMP1MMP2MMP3MMP7
SCHEMBL3456238 0.69 GPR119 (0.35) MMP1MMP2MMP3MMP7MMP9
SCHEMBL22324769 0.67 SLC18A3 (0.48) PSIP1GAA
SCHEMBL4777240 0.65 GBA1 (0.54) PSIP1GAAMLNR
Hydrochloric Acid SCHEMBL4773264 0.64 GBA1 (0.53) PSIP1GAAMLNR
SCHEMBL3072064 0.63 SYK (0.44) MLNRCYP2D6JAK2
SCHEMBL3454499 0.62 HTR6 (0.33) PSIP1GAAMLNRCYP2D6JAK2
SCHEMBL27786329 0.61 MMP1 (0.35) MLNRCYP2D6CTSCJAK2MMP1
SCHEMBL3454488 0.60 CNR2 (0.34) PSIP1MLNRCYP2D6JAK2
Hydrochloric Acid SCHEMBL27808140 0.60 MMP1 (0.35) GAAMLNRCYP2D6CTSCJAK2

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
EP-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed