SCHEMBL8715401

SCHEMBL8715401

CC(=O)NCCCN(CC(=O)NC1CCCc2ccccc2N1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
AVPR1B P47901 1/20 0.39
GFER P55789 2/20 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
SCHEMBL8718493 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTL3MBTL1
SCHEMBL8717604 0.82 TP53 (0.36) ALDH1A1MAPTHTTL3MBTL1HPGD
SCHEMBL8713405 0.82 ALDH1A1 (0.36) ALDH1A1MAPTHTTL3MBTL1HPGD
SCHEMBL8715397 0.79 MTNR1A (0.40) KMT2AGLAMEN1CYP1A2CYP3A4
SCHEMBL7346730 0.77 AVPR1A (0.62) OXTRAVPR1A
SCHEMBL8716333 0.76 OXTR (0.43) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL8719533 0.76 OXTR (0.42) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL8715313 0.73 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8713944 0.72 NPC1 (0.41) KMT2ANPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL8714614 0.71 MEN1 (0.52) KMT2AMEN1NPSR1ALDH1A1LMNA

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