SCHEMBL4168779

SCHEMBL4168779

CN1CCCN=C1c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.68
NR1H3 Q13133 20/20 0.68
RXRA P19793 1/20 0.60
PPARG P37231 2/20 0.58
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57

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
SCHEMBL4175243 0.95 NR1H2 (0.70) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL4017249 0.83 NR1H2 (0.69) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL4154063 0.83 NR1H2 (0.69) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125323 0.82 NR1H2 (0.86) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125153 0.82 NR1H2 (0.81) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL4161232 0.81 NR1H2 (0.71) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125125 0.81 NR1H2 (0.86) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125728 0.81 NR1H2 (0.79) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1126195 0.81 NR1H2 (0.79) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1125914 0.81 NR1H2 (0.86) NR1H2NR1H3RXRAPPARGPPARD

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
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed