SCHEMBL5367285

SCHEMBL5367285

CCCCCCCC(=O)CCc1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58
AGTR2 P50052 2/20 0.58
PPARG P37231 2/20 0.54
OXER1 Q8TDS5 8/20 0.50
CCR2 P41597 1/20 0.49
PLA2G4A P47712 2/20 0.46

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
SCHEMBL14386999 0.85 AGTR1 (0.61) AGTR1AGTR2PPARGOXER1CCR2
SCHEMBL7554153 0.79 CCR2 (0.57) AGTR1AGTR2PPARGOXER1CCR2
SCHEMBL5681564 0.75 HPGD (0.59)
SCHEMBL4392253 0.75 HPGD (0.59)
SCHEMBL30874195 0.75 HPGD (0.59)
SCHEMBL8165390 0.75 HPGD (0.59)
SCHEMBL932750 0.75 HPGD (0.59)
SCHEMBL287205 0.75 OXER1 (0.69) AGTR1AGTR2OXER1
SCHEMBL15700119 0.74 AGTR1 (0.57) AGTR1AGTR2PPARGCCR2
SCHEMBL11033108 0.74 FAAH (0.63) OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed