SCHEMBL3454494

SCHEMBL3454494

CCS(=O)(=O)c1ccc(C2=CC=C(C3CCNCC3)N(C3CCC3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.33
CNR2 P34972 1/20 0.31
RORC P51449 1/20 0.31
PLAT P00750 1/20 0.31
JAK2 O60674 1/20 0.31
HTR6 P50406 1/20 0.30
MEN1 O00255 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
SCHEMBL3454570 0.81 NMT1 (0.33) PLATHTR6
SCHEMBL3456235 0.76 GPR119 (0.36)
SCHEMBL3454499 0.72 HTR6 (0.33) RORCPLATJAK2HTR6
SCHEMBL22324769 0.68 SLC18A3 (0.48) RORCHTR6
SCHEMBL3454488 0.68 CNR2 (0.34) CNR2RORCPLATJAK2HTR6
SCHEMBL3072064 0.65 SYK (0.44) RORCPLATJAK2HTR6
SCHEMBL3468776 0.61 OPRD1 (0.48)
SCHEMBL4777240 0.61 GBA1 (0.54) CNR2RORCHTR6
Hydrochloric Acid SCHEMBL4773264 0.60 GBA1 (0.53) CNR2RORCHTR6
SCHEMBL5051360 0.59 RORC (0.60) RORC

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