SCHEMBL3454499

SCHEMBL3454499

CCS(=O)(=O)c1ccc(C2=CC=C(C3CCNCC3)NC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.33
GAA P10253 1/20 0.33
RORC P51449 2/20 0.32
PSIP1 O75475 2/20 0.32
PLAT P00750 1/20 0.32
MLNR O43193 4/20 0.32
CYP2D6 P10635 2/20 0.32
JAK2 O60674 1/20 0.32
PNMT P11086 1/20 0.31
IKBKB O14920 2/20 0.31
KIT P10721 1/20 0.31
CHUK O15111 1/20 0.31
MAPK8 P45983 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
SCHEMBL3454488 0.75 CNR2 (0.34) HTR6RORCPSIP1PLATMLNR
SCHEMBL22324769 0.73 SLC18A3 (0.48) HTR6GAARORCPSIP1
SCHEMBL3454570 0.73 NMT1 (0.33) HTR6PLAT
SCHEMBL3454494 0.72 GABRA2 (0.33) HTR6RORCPLATJAK2
SCHEMBL3455672 0.70 LRRK2 (0.39) JAK2
SCHEMBL3072064 0.69 SYK (0.44) HTR6RORCPLATMLNRCYP2D6
SCHEMBL3456235 0.68 GPR119 (0.36)
SCHEMBL4777240 0.65 GBA1 (0.54) HTR6GAARORCPSIP1MLNR
Hydrochloric Acid SCHEMBL4773264 0.64 GBA1 (0.53) HTR6GAARORCPSIP1MLNR
SCHEMBL3454502 0.62 PSIP1 (0.34) GAAPSIP1MLNRCYP2D6JAK2

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