SCHEMBL5377846

SCHEMBL5377846

O=C(NN1CCC(Cc2ccccc2)CC1Cl)c1ccc2[nH]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
HTR4 Q13639 3/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPK14 Q16539 2/20 0.48
CHRM2 P08172 1/20 0.46
GRIN1 Q05586 1/20 0.46
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 3/20 0.45
CCR3 P51677 1/20 0.45
SMYD3 Q9H7B4 1/20 0.43
CHRNA7 P36544 2/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
GRIN2B Q13224 1/20 0.41
NFATC1 O95644 1/20 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
SCHEMBL5374680 0.84 ACHE (0.56) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5369588 0.78 ACHE (0.49) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL1063008 0.77 MAPK14 (0.69) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5371606 0.76 ACHE (0.48) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5378474 0.76 ACHE (0.50) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL1059207 0.76 MAPK14 (0.61) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5373032 0.74 ACHE (0.46) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5371601 0.73 ACHE (0.50) ACHEHTR4SIGMAR1MAPK14CHRM2
SCHEMBL5372857 0.73 SLC6A2 (0.54) ACHEHTR4SIGMAR1MAPK14SLC6A2
SCHEMBL5377656 0.71 ACHE (0.44) ACHEHTR4SIGMAR1MAPK14CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US claimed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP claimed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO claimed