SCHEMBL434110

SCHEMBL434110

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(C)ccc1OC(=O)C(C)(C)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CTSA P10619 3/20 0.34
ELANE P08246 4/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
HRH1 P35367 2/20 0.33
ADRB2 P07550 1/20 0.33
CX3CR1 P49238 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL725534 0.85 CHRM2 (0.46) TSHRCTSACHRM2CHRM1CHRM5
SCHEMBL222587 0.78 CHRM2 (0.58) ELANECHRM2CHRM1CHRM5CHRM3
SCHEMBL4660350 0.77 CHRM2 (0.46) CTSACHRM2CHRM1KMT2AESR1
SCHEMBL3721172 0.76 CHRM1 (0.54) TSHRCHRM2CHRM1CHRM5CHRM3
SCHEMBL4412379 0.76 CHRM1 (0.54) TSHRCHRM2CHRM1CHRM5CHRM3
SCHEMBL724698 0.74 CHRM2 (0.45) TSHRELANECHRM2CHRM1GAA
SCHEMBL1158251 0.73 CHRM2 (0.62) CTSAELANECHRM2CHRM1ADRB2
SCHEMBL4659057 0.73 CHRM2 (0.62) CTSAELANECHRM2CHRM1ADRB2
Hydrochloric Acid SCHEMBL16166361 0.73 CHRM2 (0.61) CTSAELANECHRM2CHRM1ADRB2
SCHEMBL11292328 0.73 TTR (0.40) TSHRELANECHRM2CHRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346772-A1 PHOSPHOLIPID FORMULATIONS OF 1'-CYANO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2024-04-10 EP disclosed
WO-2024006461-A1 SOLID FORMS OF A NUCLEOSIDE ANALOGUE AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed
EP-4132651-A1 INHALATION FORMULATIONS OF 1'-CYANO SUBSTITUTED CARBANUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2023-02-15 EP disclosed
EP-4106766-A1 A 5-(4-AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-2-CYANO-3,4-DIHYDROXYTETRAHYDROFURANE DERIVATIVE AS ANTIVIRAL AGENT Gilead Sciences, Inc. (US) 2022-12-28 EP disclosed
EP-2838900-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2015-02-25 EP disclosed
EP-2834258-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2015-02-11 EP disclosed
EP-2794611-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2014-10-29 EP disclosed
WO-2013158776-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-10-24 WO disclosed
WO-2013138236-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES , INC. (US) 2013-09-19 WO disclosed
EP-2616080-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2013-07-24 EP disclosed
WO-2013096681-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 WO disclosed
EP-2595980-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2013-05-29 EP disclosed
EP-2585467-A1 PYRAZOLO [1, 5 -A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2013-05-01 EP disclosed
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 WO disclosed
EP-2114972-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND BETA-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS Gilead Sciences, Inc. (US) 2009-11-11 EP disclosed
WO-2008076269-A2 MONOPHOSPHATES AS MUTUAL PRODRUGS OF MUSCARINIC RECEPTOR ANTAGONISTS AND β-AGONISTS FOR THE TREATMENT OF COPD AND CHRONIC BRONCHITIS GILEAD SCIENCES, INC. (US) 2008-06-26 WO disclosed