SCHEMBL29079552

SCHEMBL29079552

c1ccc(COC2CC(C3CCN(Cc4ccccc4)CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
CCR3 P51677 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 2/20 0.48
CXCR3 P49682 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8551647 0.86 SIGMAR1 (0.64) ACHEDRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL8555397 0.84 SIGMAR1 (0.62) ACHEDRD2DRD4DRD3SIGMAR1
SCHEMBL8315434 0.82 ACHE (0.71) ACHEDRD2DRD4DRD3SIGMAR1
SCHEMBL21460095 0.81 CTSL (0.46) DRD2DRD3SIGMAR1HRH3TMEM97
SCHEMBL20178567 0.81 CTSL (0.51) SIGMAR1HRH3TMEM97CARM1PRMT6
SCHEMBL12482253 0.81 CTSL (0.51) SIGMAR1HRH3TMEM97CARM1PRMT6
SCHEMBL24652674 0.80 NPC1 (0.58) ACHEDRD2DRD4DRD3SIGMAR1
SCHEMBL20594278 0.79 SIGMAR1 (0.53) DRD2DRD4DRD3SIGMAR1NPC1
SCHEMBL21920972 0.79 SIGMAR1 (0.53) DRD2DRD4DRD3SIGMAR1NPC1
SCHEMBL7299780 0.78 CARM1 (0.60) ACHESIGMAR1HRH3TMEM97CARM1

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
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed