SCHEMBL8715397

SCHEMBL8715397

CC(=O)NCCCN(CC(=O)NN1c2ccccc2CCCC1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
KMT2A Q03164 5/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 3/20 0.39
HPGD P15428 2/20 0.38
DRD3 P35462 1/20 0.37

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
SCHEMBL8718492 0.87 MAPT (0.42) MTNR1AKMT2AGLAMEN1CYP3A4
SCHEMBL8717599 0.82 MTNR1A (0.35) MTNR1AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL8713402 0.82 ALDH1A1 (0.36) MTNR1AKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL8715401 0.79 KMT2A (0.40) MTNR1AKMT2AGLAMEN1CYP3A4
SCHEMBL8716330 0.76 FOLH1 (0.40) MTNR1AKMT2AMEN1NPSR1ALDH1A1
SCHEMBL8719530 0.76 ALDH1A1 (0.40) MTNR1AKMT2AMEN1NPSR1ALDH1A1
SCHEMBL7346730 0.73 AVPR1A (0.62)
SCHEMBL8715310 0.73 ALDH1A1 (0.46) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL8713941 0.72 POLB (0.41) KMT2AMEN1NPSR1GAAALDH1A1
SCHEMBL8714612 0.71 ALDH1A1 (0.51) KMT2AMEN1NPSR1ALDH1A1MAPT

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
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed