SCHEMBL5712960

SCHEMBL5712960

Nc1sc2c(c1C(=O)c1cccc(CF)c1)CCN(CCc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
POLB P06746 1/20 0.63
ADORA1 P30542 8/20 0.56
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GLA P06280 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
PTPN2 P17706 4/20 0.52
PTPN1 P18031 4/20 0.52
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.45

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
SCHEMBL5712917 0.90 ADORA1 (0.70) GAAPOLBADORA1MAPTMEN1
SCHEMBL5712814 0.88 ADORA1 (0.61) GAAPOLBADORA1MAPTMEN1
SCHEMBL5506528 0.83 GAA (0.66) GAAPOLBADORA1MAPTMEN1
SCHEMBL5712833 0.83 ADORA1 (0.60) GAAPOLBADORA1MAPTMEN1
SCHEMBL5712830 0.80 GAA (0.59) GAAPOLBADORA1MAPTMEN1
SCHEMBL7773976 0.78 ADORA1 (0.73) GAAPOLBADORA1MAPTMEN1
SCHEMBL5508041 0.78 MEN1 (0.62) GAAPOLBADORA1MAPTMEN1
SCHEMBL6993515 0.77 GAA (1.00) GAAPOLBADORA1MAPTMEN1
SCHEMBL5678867 0.75 ADORA1 (0.71) GAAPOLBADORA1MAPTMEN1
SCHEMBL5712840 0.74 ADORA1 (0.76) POLBADORA1MAPTMEN1KMT2A

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
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP claimed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP claimed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO claimed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP disclosed
US-20040121406-A1 Methods and formulations for increasing the affinity of a1 adenosine receptor ligands for the a1 adenosine receptor ENDACEA, INC. 2004-06-24 US disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US disclosed