SCHEMBL9633113

SCHEMBL9633113

O=C(O)N(F)CC(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARG P37231 15/20 0.38
PPARA Q07869 13/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Medifoxamine SCHEMBL1649943 0.71 LMNA (0.45) MTNR1AMTNR1BCYP2C19NPC1RAB9A
Medifoxamine SCHEMBL4416212 0.71 LMNA (0.45) MTNR1AMTNR1BCYP2C19NPC1RAB9A
SCHEMBL1538040 0.71 ALOX15 (0.48) MTNR1AMTNR1BPPARGPPARAALOX15
Medifoxamine SCHEMBL49319 0.71 HTR2A (0.50) MTNR1AMTNR1BCYP2C19NPC1RAB9A
SCHEMBL28444649 0.71 MTNR1A (0.44) MTNR1AMTNR1BPPARGPPARAALOX15
Medifoxamine SCHEMBL1171221 0.69 HTR2A (0.48) MTNR1AMTNR1BCYP2C19NPC1RAB9A
SCHEMBL12537686 0.69 MTNR1A (0.44) MTNR1AMTNR1BPPARGPPARAALOX15
SCHEMBL8973243 0.68 PPARG (0.45) MTNR1AMTNR1BPPARGPPARAALOX15
SCHEMBL11279740 0.68 SMN1; SMN2 (0.43) MTNR1AMTNR1BPPARGPPARAALOX15
SCHEMBL9780112 0.68 PPARG (0.42) MTNR1AMTNR1BPPARGPPARAALOX15

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
JP-2304057-A None JP disclosed
US-5114968-A Ovicides, pesticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
JP-H02304057-A ACYLATED CARBAMATE CIBA GEIGY AG 1990-12-17 JP disclosed