SCHEMBL3454571

SCHEMBL3454571

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.34
CNR2 P34972 3/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.31
CTSK P43235 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
KDM1A O60341 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
SCHEMBL3468778 0.80 OPRD1 (0.51)
SCHEMBL3456238 0.79 GPR119 (0.35) RORCMMP1MMP2MMP3MMP7
SCHEMBL3454502 0.74 PSIP1 (0.34) CTSCMMP1MMP2MMP3MMP7
SCHEMBL3454570 0.64 NMT1 (0.33) MMP1MMP2MMP3MMP7MMP9
SCHEMBL22324769 0.63 SLC18A3 (0.48) RORC
SCHEMBL4777240 0.61 GBA1 (0.54) CNR2RORC
Hydrochloric Acid SCHEMBL4773264 0.60 GBA1 (0.53) CNR2RORC
SCHEMBL3072064 0.60 SYK (0.44) KCNH2RORC
SCHEMBL3454499 0.58 HTR6 (0.33) RORC
SCHEMBL10455034 0.57 PSIP1 (0.74)

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