SCHEMBL2179299

SCHEMBL2179299

CCC(c1cccc(OC)c1)C(C)(C#N)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CASR P41180 2/20 0.40
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2634298 0.86 AOC3 (0.46) AOC3L3MBTL1SLC6A2SLC6A4CASR
SCHEMBL2634648 0.81 AOC3 (0.36) AOC3L3MBTL1SLC6A2SLC6A4CASR
SCHEMBL2176604 0.81 L3MBTL1 (0.44) L3MBTL1KMT2ACES2CES1NPC1
SCHEMBL2181081 0.81 L3MBTL1 (0.41) AOC3L3MBTL1KMT2ACES2CES1
SCHEMBL18827388 0.80 TAAR1 (0.42) AOC3L3MBTL1CASRCES2CES1
SCHEMBL2322694 0.79 AOC3 (0.41) AOC3L3MBTL1SLC6A2SLC6A4KMT2A
SCHEMBL2324046 0.76 KDM4E (0.43) L3MBTL1CASRNPC1ALDH1A1MAPT
SCHEMBL2177209 0.76 MAPT (0.41) L3MBTL1NPC1ALDH1A1MAPTRAB9A
SCHEMBL12441838 0.75 AOC3 (0.46) AOC3L3MBTL1SLC6A2SLC6A4CASR
SCHEMBL12802502 0.75 CYP2C9 (0.57) AOC3L3MBTL1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed