SCHEMBL4781031

SCHEMBL4781031

Fc1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GFER P55789 1/20 0.40
TP53 P04637 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GRM5 P41594 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
HTR1A P08908 1/20 0.37
AGER Q15109 2/20 0.36
MTNR1A P48039 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL4780315 0.85 BPTF (0.43) TP53BACE1MAPTLMNATSHR
SCHEMBL4775240 0.85 MEN1 (0.41) MAPTLMNATSHRALDH1A1RORC
SCHEMBL4780839 0.85 SLC6A2 (0.44) BCHEACHEBACE1LMNA
SCHEMBL4779333 0.83 CHRM4 (0.39)
SCHEMBL4778295 0.82 SIGMAR1 (0.46) GAAL3MBTL1MAPTLMNATSHR
SCHEMBL4774183 0.82 NPC1 (0.37) L3MBTL1TP53MAPTRORC
SCHEMBL4776044 0.82 RORC (0.41) BCHERORC
SCHEMBL4321609 0.81 GRM5 (0.42) GAABCHEACHEBACE1GRM5
SCHEMBL16423519 0.80 GFER (0.39) GAAL3MBTL1GFERTP53MAPT
SCHEMBL4774390 0.79 KDM4E (0.40) GAAL3MBTL1DRD2DRD4DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed