SCHEMBL27917811

SCHEMBL27917811

CC(C)CC(CN)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2772649 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1MAOBCACNA2D1
SCHEMBL13995988 0.82 MAOB (0.39) ALDH1A1TSHRMAPK1MAOBANPEP
SCHEMBL10831977 0.79 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1MAOB
SCHEMBL20047512 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14175019 0.74 MAOB (0.35) ALDH1A1TSHRMAPK1MAOB
SCHEMBL19397686 0.74 MAOB (0.35) ALDH1A1TSHRMAPK1MAOB
SCHEMBL19397681 0.74 MAOB (0.35) ALDH1A1TSHRMAPK1MAOB
SCHEMBL3589547 0.72 TSHR (0.42) ALDH1A1TSHRMAPK1MAOBTDP1
SCHEMBL13412941 0.72 MAOB (0.34) ALDH1A1TSHRMAPK1MAOB
SCHEMBL26457766 0.72 TSHR (0.42) ALDH1A1TSHRMAPK1MAOBTDP1

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
CN-103313993-A (Amidoalkan) metal compound and method for producing metal-containing thin film using same UBE INDUSTRIES 2013-09-18 CN disclosed