SCHEMBL7278546

SCHEMBL7278546

CN(C)CCC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
MITF O75030 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
NR4A2 P43354 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.52
UTS2R Q9UKP6 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
STAT6 P42226 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
Iodomethane SCHEMBL7279016 0.97 ALDH1A1 (0.61) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL27249799 0.85 LMNA (0.68) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL14745414 0.84 LMNA (0.71) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL7278079 0.83 LMNA (0.43) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL11227116 0.82 LMNA (0.68) ALDH1A1LMNAMITFMAPTKMT2A
Hydrochloric Acid SCHEMBL7278455 0.82 LMNA (0.43) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL27249475 0.81 LMNA (0.55) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL7278172 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMITFMAPTKMT2A
Hydrochloric Acid SCHEMBL7278265 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL4106159 0.80 KMT2A (0.73) ALDH1A1LMNAMITFMAPTKMT2A

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
US-4814344-A ANTIEMENTICS, ANTIPSYCHOTICS GLAXO GROUP LIMITED 1989-03-21 US disclosed
EP-0266899-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1988-05-11 EP disclosed