SCHEMBL7375443

SCHEMBL7375443

O=C1Nc2ccccc2C1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
IDO1 P14902 3/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 1/20 0.39
PRCP P42785 1/20 0.38
NOS2 P35228 1/20 0.37
TDO2 P48775 1/20 0.37
BRPF1 P55201 1/20 0.37
CREBBP Q92793 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
SCHEMBL18552441 1.00 MAPT (0.49) MAPTIDO1PDE4APDE4BPDE4C
SCHEMBL16566268 0.95 IDO1 (0.44) MAPTIDO1PDE4APDE4BPDE4C
SCHEMBL16566110 0.91 IDO1 (0.46) MAPTIDO1PDE4APDE4BPDE4C
SCHEMBL6307523 0.87 MAPT (0.44) MAPTIDO1ALDH1A1KDM4EGAA
SCHEMBL23785707 0.85 IDO1 (0.41) MAPTIDO1ALDH1A1KDM4EGAA
SCHEMBL2982905 0.85 IDO1 (0.41) MAPTIDO1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6249275 0.83 HTR2C (0.41) MAPTIDO1ALDH1A1KDM4EGAA
SCHEMBL9899738 0.81 IDO1 (0.53) MAPTIDO1ALDH1A1KDM4EGAA
SCHEMBL23785577 0.80 ALDH1A1 (0.38) MAPTIDO1ALDH1A1KDM4EGAA
SCHEMBL7467891 0.79 TSHR (0.50) MAPTALDH1A1KDM4EGAATSHR

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-0381374-A1 Phosphodiesterase inhibitors LES LABORATOIRES BEECHAM S.A. (FR) 1990-08-08 EP disclosed