SCHEMBL3394677

SCHEMBL3394677

O=C(N[C@H]1CCCc2ccccc21)c1cccc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.64
TAS1R1 Q7RTX1 10/20 0.64
TAS1R2 Q8TE23 8/20 0.64
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP2D6 P10635 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL29764007 0.78 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL23531256 0.78 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL23531255 0.78 ALDH1A1 (0.59) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL3389867 0.78 HTT (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL3393778 0.78 HTT (0.64) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702373 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL702372 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL8516550 0.78 ALDH1A1 (0.72) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL3394672 0.78 MTNR1A (0.51) ALDH1A1
SCHEMBL3392185 0.78 MTNR1A (0.51) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed