SCHEMBL5133709

SCHEMBL5133709

CN(C(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1)C(C)(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX12 P18054 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PSMD14 O00487 2/20 0.49
POLB P06746 2/20 0.49
CACNA1B Q00975 2/20 0.49
APBA1 Q02410 2/20 0.49
RECQL P46063 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
TRPV4 Q9HBA0 1/20 0.46
SETD7 Q8WTS6 1/20 0.46
PRMT1 Q99873 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL3103305 0.85 NPC1 (0.56) MAPTKDM4ENPC1RAB9APTPN1
SCHEMBL3095746 0.84 NPC1 (0.57) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL3094728 0.84 PTPN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3100026 0.82 NR1H4 (0.48) RAB9APTPN1SMN1; SMN2HPGD
SCHEMBL3099910 0.80 PTPN1 (0.49) NPC1RAB9APTPN1SMN1; SMN2
SCHEMBL3099892 0.80 NPC1 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3091786 0.79 TRPV1 (0.59) MAPTKDM4ENPC1RAB9AHPGD
SCHEMBL3096842 0.78 MEN1 (0.54) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL13515597 0.78 NPC1 (0.51) MEN1KMT2AMAPTHTTNPC1
SCHEMBL3100715 0.77 PTPN1 (0.43) MEN1KMT2AMAPTHTTNPC1

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-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO claimed