SCHEMBL11115550

SCHEMBL11115550

NCCC(C(=O)C(CCN)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
EPHX1 P07099 1/20 0.48
HTR2A P28223 2/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
ROCK2 O75116 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
BCAT2 O15382 1/20 0.43
CYP2D6 P10635 2/20 0.41
SRC P12931 1/20 0.41
GLS O94925 1/20 0.41
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1613696 0.88 HRH1 (0.56) HRH1EPHX1HTR2AGABBR2GABBR1
Hydrochloric Acid SCHEMBL1093394 0.86 HRH1 (0.54) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL27843751 0.86 HRH1 (0.54) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL11502865 0.86 HRH1 (0.54) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL27691659 0.86 EPHX1 (0.61) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL12824732 0.84 HRH1 (0.52) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL27582649 0.83 GABBR2 (0.53) EPHX1HTR2AGABBR2GABBR1CYP2C19
SCHEMBL11122482 0.82 HRH1 (0.50) HRH1EPHX1HTR2AGABBR2GABBR1
SCHEMBL28470487 0.82 MMP8 (0.50) HRH1CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL15653352 0.82 ESR1 (0.46) CYP2C19LMNAHSD17B10TAAR1CYP2D6

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-0110748-A1 Derivatives of phenyl-(3-aminopropyl) ketone, their therapeutical use and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1984-06-13 EP disclosed