SCHEMBL5387263

SCHEMBL5387263

O=C(NN1CCC(Cc2ccccc2)CC1)c1cc2[nH]ccc2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
FAAH O00519 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL1062605 0.85 CYP2C9 (0.63) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5374680 0.82 ACHE (0.56) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL5376318 0.82 CYP2C9 (0.45) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1059661 0.81 MAPK14 (0.63) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7449374 0.73 CCR3 (0.60) FAAHMEN1KMT2ASLC6A2SLC6A4
SCHEMBL14559817 0.72 MAPK14 (0.63) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL13936069 0.71 MAPK14 (0.62) CYP2C9CYP2C19HTR2BMAPK14MEN1
SCHEMBL5373096 0.71 GRIN2B (0.53) GRIN2BMEN1KMT2A
SCHEMBL1063008 0.70 MAPK14 (0.69) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL1063428 0.70 MAPK14 (0.72) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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 5 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 disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
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