SCHEMBL12512751

SCHEMBL12512751

CCN(CC1CC1(C)c1ccccc1)C(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 15/20 0.49
SLC6A4 P31645 12/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2C P28335 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL12511670 0.90 SLC6A2 (0.51) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL13795505 0.90 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL12512404 0.88 MEN1 (0.43) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL13795239 0.86 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL12511496 0.86 MEN1 (0.41) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL12511501 0.85 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL18231953 0.85 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL13795283 0.85 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL12511662 0.84 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL18231892 0.83 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642886-B1 Saturated and unsaturated N-Alkamides exhibiting taste and flavor enhancement effect in flavor compositions INT FLAVORS & FRAGRANCES INC (US) 2016-11-16 EP disclosed
EP-2348014-A1 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions International Flavors & Fragrances Inc. (US) 2011-07-27 EP disclosed
US-7541055-B2 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-02 US disclosed
US-7541055-B2 Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-06-02 US disclosed