SCHEMBL5374499

SCHEMBL5374499

NC(=O)c1ccc2cc(N3CCC(Cc4ccccc4)CC3)n(C(=O)c3cccnc3)c2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRM2 P08172 1/20 0.38
SPR P35270 1/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL5369583 0.84 GAA (0.45) MEN1KMT2AGAACA12CA1
SCHEMBL5365920 0.81 MEN1 (0.47) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL1062867 0.75 CYP2C9 (0.50) MEN1KMT2ACYP2C9CYP2C19HTR2B
SCHEMBL5374501 0.75 CHRM2 (0.37) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL5375101 0.72 MEN1 (0.36) MEN1KMT2AGAACA12CA1
SCHEMBL3490535 0.71 CYP2C9 (0.48) MEN1KMT2ACYP2C9CYP2C19HTR2B
SCHEMBL5376322 0.70 GPR84 (0.51) MEN1KMT2AGAACYP2C9CYP2C19
SCHEMBL7073760 0.68 SIGMAR1 (0.47) GAASMN1; SMN2ACHE
SCHEMBL5374495 0.67 GBA1 (0.42) MEN1KMT2ACHRM2SMN1; SMN2PKM
SCHEMBL14559843 0.67 MGLL (0.53) MEN1KMT2AGAACA12CA1

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