SCHEMBL6909258

SCHEMBL6909258

CCCn1c(=O)n(CCC)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.57
CNR2 P34972 1/20 0.54
ADORA2B P29275 2/20 0.51
ADORA1 P30542 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 1/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 2/20 0.51
APEX1 P27695 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL6909959 0.94 PGR (0.53) PGRCNR2ADORA2BADORA1ADORA3
SCHEMBL24665898 0.90 CYP1A2 (0.61) PGRALDH1A1MEN1KMT2AGAA
SCHEMBL5741928 0.86 PGR (0.50) PGRCNR2ADORA2BADORA1ADORA3
SCHEMBL16688540 0.86 APEX1 (0.56) PGRCNR2ADORA2BADORA1APEX1
SCHEMBL6421284 0.85 CNR2 (0.57) PGRCNR2ALDH1A1MEN1KMT2A
SCHEMBL4668715 0.84 CACNA1G (0.50) PGRADORA2BADORA1ADORA2ASLC6A2
SCHEMBL25316072 0.84 CNR2 (0.56) PGRCNR2ALDH1A1MEN1KMT2A
SCHEMBL30484776 0.84 CNR2 (0.56) PGRCNR2ALDH1A1MEN1KMT2A
SCHEMBL25318908 0.84 CNR2 (0.56) PGRCNR2ALDH1A1MEN1KMT2A
SCHEMBL8862370 0.84 CNR2 (0.56) PGRCNR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
CN-102675897-B Thiourea/urea aromatic amine dye, as well as preparation method and application thereof UNIV SHAANXI NORMAL 2015-04-29 CN disclosed
CN-102675897-A Thiourea/urea aromatic amine dye, as well as preparation method and application thereof UNIV SHAANXI NORMAL 2012-09-19 CN disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed