SCHEMBL3454570

SCHEMBL3454570

CCS(=O)(=O)c1ccc(C2=CC=C(C3CCNCC3)N(C(C)C)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.33
PLAT P00750 1/20 0.31
HTR6 P50406 3/20 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

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
SCHEMBL3454494 0.81 GABRA2 (0.33) PLATHTR6
SCHEMBL3468776 0.79 OPRD1 (0.48)
SCHEMBL3456235 0.77 GPR119 (0.36) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3067368 0.76 ALDH1A1 (0.35)
SCHEMBL3454499 0.73 HTR6 (0.33) PLATHTR6
SCHEMBL3454585 0.70 MAPT (0.34)
SCHEMBL22324769 0.69 SLC18A3 (0.48) HTR6
SCHEMBL3072064 0.65 SYK (0.44) PLATHTR6
SCHEMBL3454488 0.64 CNR2 (0.34) PLATHTR6
SCHEMBL3454571 0.64 CTSC (0.34) MMP1MMP2MMP3MMP7MMP9

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