SCHEMBL7375322

SCHEMBL7375322

CC(C(=O)O)N(C(=O)c1ccc2[nH]ccc2c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
HTR4 Q13639 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
GRIN1 Q05586 3/20 0.49
CHRM2 P08172 1/20 0.49
MAPK14 Q16539 2/20 0.46
CCR3 P51677 1/20 0.44
CHRNA7 P36544 1/20 0.44
GRIN2B Q13224 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41

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
SCHEMBL5374195 0.80 ACHE (0.49) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL1063008 0.78 MAPK14 (0.69) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL5374680 0.75 ACHE (0.56) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL1059207 0.73 MAPK14 (0.61) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL5371606 0.70 ACHE (0.48) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL5369588 0.70 ACHE (0.49) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL14559817 0.69 MAPK14 (0.63) GRIN1MAPK14GRIN2BMEN1KMT2A
SCHEMBL5377846 0.69 ACHE (0.53) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL5371601 0.69 ACHE (0.50) ACHEHTR4SIGMAR1GRIN1CHRM2
SCHEMBL1063085 0.68 CCR3 (0.72) ACHEHTR4SIGMAR1CHRM2MAPK14

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-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed