SCHEMBL6440155

SCHEMBL6440155

CCCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCCC)c1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
GMNN O75496 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
TMIGD3 P0DMS9 1/20 0.63
CYP2C9 P11712 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
MAPK1 P28482 1/20 0.63
ADORA2A P29274 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL31060860 1.00 ADORA3 (1.00) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL8183224 0.88 ADORA3 (0.79) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL7681042 0.86 ADORA3 (0.79) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL7683479 0.83 ADORA3 (1.00) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL8183220 0.83 ADORA3 (0.70) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL7683657 0.81 ADORA3 (0.80) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL7685034 0.80 ADORA3 (0.66) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL7680793 0.79 ADORA3 (1.00) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL6371417 0.77 ADORA3 (1.00) ADORA3GMNNCYP1A2CYP3A4TMIGD3
SCHEMBL29386534 0.77 ADORA3 (1.00) ADORA3GMNNCYP1A2CYP3A4TMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376521-B1 ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-23 US claimed
US-11857600-B2 GPCR heteromer inhibitors and uses thereof GPCR THERAPEUTICS, INC. (KR) 2024-01-02 US disclosed
CN-109414459-B Use of exosomes derived from umbilical cord blood for tissue repair 斯坦姆实验室 2022-10-25 CN disclosed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
US-6376521-B1 ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-23 US disclosed