SCHEMBL2178067

SCHEMBL2178067

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CASR P41180 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TAAR1 Q96RJ0 2/20 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
SCHEMBL2177637 0.88 CASR (0.44) AOC3L3MBTL1CASRKMT2AMTNR1A
SCHEMBL11618270 0.85 AOC3 (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL29061992 0.81 KMT2A (0.49) AOC3L3MBTL1CASRKMT2AMTNR1A
SCHEMBL7652207 0.81 KMT2A (0.49) AOC3L3MBTL1CASRKMT2AMTNR1A
SCHEMBL18403140 0.80 AOC3 (0.50) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL18320847 0.80 AOC3 (0.50) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL15775360 0.80 AOC3 (0.47) AOC3L3MBTL1CASRKMT2AALDH1A1
SCHEMBL16871396 0.79 CASR (0.48) AOC3L3MBTL1CASRTAAR1
Hydrochloric Acid SCHEMBL5740866 0.79 AOC3 (0.46) AOC3L3MBTL1CASRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5740863 0.79 AOC3 (0.46) AOC3L3MBTL1CASRKMT2AALDH1A1

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