SCHEMBL2176604

SCHEMBL2176604

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
KDM4E B2RXH2 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
GPR139 Q6DWJ6 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL2322694 0.87 AOC3 (0.41) L3MBTL1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL2181081 0.87 L3MBTL1 (0.41) L3MBTL1MTNR1AMTNR1BKDM4ETAS1R3
SCHEMBL2324046 0.86 KDM4E (0.43) L3MBTL1MTNR1AMTNR1BKDM4EGPR139
SCHEMBL12802502 0.83 CYP2C9 (0.57) L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL2634298 0.82 AOC3 (0.46) L3MBTL1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL2179299 0.81 AOC3 (0.41) L3MBTL1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL2634648 0.75 AOC3 (0.36) L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL2195806 0.75 L3MBTL1 (0.41) L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL659293 0.75 ALDH1A1 (0.48) L3MBTL1KDM4EKMT2A
Bicarbonate SCHEMBL2179811 0.74 KCNA5 (0.41) L3MBTL1MTNR1AMTNR1BKDM4ENPC1

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