SCHEMBL7368233

SCHEMBL7368233

O=C1OC[C@@H]2CCc3cc(OCCCC(F)(F)F)ccc3N12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
NOTUM Q6P988 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
OXTR P30559 2/20 0.37
QPCT Q16769 1/20 0.37
MGAT2 Q10469 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
KCNH2 Q12809 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL3503762 1.00 MAOB (0.49) MAOBNOTUMPPARDPPARAOXTR
SCHEMBL3505122 0.84 QPCT (0.36) NOTUMPPARDPPARAOXTRQPCT
SCHEMBL7372353 0.84 QPCT (0.36) NOTUMPPARDPPARAOXTRQPCT
SCHEMBL7372356 0.84 QPCT (0.36) NOTUMPPARDPPARAOXTRQPCT
SCHEMBL7340025 0.79 MAOB (0.47) MAOBPPARDPPARAMGAT2KCNE1
SCHEMBL7340022 0.79 MAOB (0.47) MAOBPPARDPPARAMGAT2KCNE1
SCHEMBL7342239 0.78 HTR2C (0.49) NOTUMOXTR
SCHEMBL8742792 0.78 HTR2C (0.49) NOTUMOXTR
SCHEMBL7366736 0.78 HTR2C (0.49) NOTUMOXTR
SCHEMBL7343392 0.77 MAOB (0.45) MAOBPPARDPPARAMGAT2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699680-B1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2000-03-08 EP disclosed
US-5641785-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1997-06-24 US disclosed
EP-0699680-A1 Oxazoloquinolinone derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1996-03-06 EP disclosed