SCHEMBL16842362

SCHEMBL16842362

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NTRK1 P04629 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39
BCL3 P20749 1/20 0.39
SERPINE1 P05121 1/20 0.38
QSOX1 O00391 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL46961 0.84 NTRK1 (0.40) DRD4SMN1; SMN2MAPTRAB9AHTT
SCHEMBL15433035 0.84 DGAT1 (0.45) DRD4SMN1; SMN2MAPTRAB9AHTT
SCHEMBL15432993 0.83 WNT3A (0.49) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL19595482 0.83 RAF1 (0.42) DRD4SMN1; SMN2MAPTRAB9AHTT
SCHEMBL15433053 0.83 FGFR1 (0.39) DRD4SMN1; SMN2MAPTRAB9AHTT
SCHEMBL46563 0.82 TRPV4 (0.41) KDM4EGAALMNA
SCHEMBL46674 0.82 KDM5A (0.43) DRD4SMN1; SMN2MAPTRAB9AHTT
SCHEMBL15433052 0.81 MAPK14 (0.38) DRD4MAPTNTRK1ALDH1A1HRH3
SCHEMBL46894 0.81 LCK (0.51)
SCHEMBL46570 0.81 TRPV4 (0.39) DRD4SMN1; SMN2MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed