SCHEMBL5378650

SCHEMBL5378650

NC(=O)c1c[nH]c2cc(Cl)c(N3CCC(Cc4ccccc4)CC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
PRSS1 P07477 1/20 0.53
GRIN2B Q13224 1/20 0.50
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL5204359 0.82 SLC6A4 (0.63) F2PRSS1GRIN2BSLC6A4SLC6A3
SCHEMBL5377865 0.81 GRIN2B (0.48) F2PRSS1GRIN2BSLC6A4SLC6A3
SCHEMBL7134765 0.79 GRIN2B (0.53) F2PRSS1GRIN2BMAPTHTT
SCHEMBL5378646 0.79 MEN1 (0.52) GRIN2BSLC6A4SLC6A3MAPTHTT
SCHEMBL5374207 0.76 GPR84 (0.52) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5387265 0.73 GPR84 (0.52) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5377680 0.73 CYP2C9 (0.45) GRIN2BMAPTMAPK14CYP2C9CYP2C19
SCHEMBL7617666 0.73 MAPT (0.55) MAPTHTTGFERSMN1; SMN2MAPK14
SCHEMBL5377860 0.73 GRIN2D (0.52) GRIN2BMAPTHTTGFERSMN1; SMN2
SCHEMBL5383885 0.73 GPR84 (0.51) GRIN2BMAPTHTTGFERSMN1; SMN2

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 6 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
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 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