SCHEMBL5375101

SCHEMBL5375101

CN(C)CCc1c(N2CCC(Cc3ccccc3)CC2)n(C(=O)c2cccnc2)c2c(Cl)c(C(=O)NC(N)=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
STAT3 P40763 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
SCN9A Q15858 1/20 0.34
PRSS12 P56730 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
VNN1 O95497 1/20 0.33
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL1061656 0.72 CYP2C9 (0.41) MEN1KMT2APKMPRSS12CYP2C9
SCHEMBL5374499 0.72 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNASTAT3
SCHEMBL3490535 0.68 CYP2C9 (0.48) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL1062867 0.66 CYP2C9 (0.50) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5369583 0.63 GAA (0.45) MEN1KMT2ASMN1; SMN2LMNASTAT3
SCHEMBL5365920 0.62 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL5374496 0.60 TACR1 (0.39)
SCHEMBL5909349 0.59 MEN1 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL7470946 0.59 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7377991 0.58 SCN9A (0.47) MEN1KMT2ALMNAALDH1A1GAA

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