SCHEMBL7434217

SCHEMBL7434217

COc1ccc2c(c1)OCC(C(O)CNC1CCN(C(C(N)=O)c3cccc(Cl)c3)CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.38
ADRB1 P08588 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MCHR1 Q99705 1/20 0.35
FFAR1 O14842 1/20 0.34
NPC1 O15118 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL7428117 0.91 LMNA (0.43) LMNAMAPTMCHR1FFAR1NPC1
SCHEMBL7446573 0.90 AIMP2 (0.38) ADRB3ADRB1LMNAMAPTMCHR1
SCHEMBL7437776 0.89 LMNA (0.38) LMNAMAPTMCHR1NPC1
SCHEMBL10995399 0.87 MAPT (0.40) LMNAMAPTDRD2DRD3FFAR1
SCHEMBL7446102 0.87 LMNA (0.39) LMNAMAPTMCHR1FFAR1NPC1
SCHEMBL7431674 0.85 LMNA (0.42) LMNAMAPTNPC1
SCHEMBL7434853 0.85 MTNR1A (0.40) LMNAMAPTMCHR1FFAR1NPC1
SCHEMBL7495730 0.84 CA2 (0.36) LMNAMAPTMCHR1FFAR1
SCHEMBL7431667 0.84 LMNA (0.37) LMNAMAPTMCHR1FFAR1NPC1
SCHEMBL7435692 0.83 LMNA (0.37) LMNAMAPTMCHR1FFAR1NPC1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed