SCHEMBL10426698

SCHEMBL10426698

CCN(CC)[C@@H]1CCCC[C@H]1Oc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
TSHR P16473 2/20 0.41
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPY4R P50391 1/20 0.37
NPY5R Q15761 1/20 0.37
OPRM1 P35372 3/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
PSMD14 O00487 1/20 0.33
RECQL P46063 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL10426697 1.00 NFE2L2 (0.42) NFE2L2GPR119TDP1TSHRNPY1R
SCHEMBL10426699 1.00 NFE2L2 (0.42) NFE2L2GPR119TDP1TSHRNPY1R
SCHEMBL10426032 0.79 SMN1; SMN2 (0.44) GPR119TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL10426031 0.79 SMN1; SMN2 (0.44) GPR119TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL10426030 0.79 SMN1; SMN2 (0.44) GPR119TSHRMAPK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10426025 0.78 SMN1; SMN2 (0.43) GPR119ALDH1A1
Hydrochloric Acid SCHEMBL10426026 0.78 SMN1; SMN2 (0.43) GPR119ALDH1A1
Hydrochloric Acid SCHEMBL10426028 0.78 SMN1; SMN2 (0.43) GPR119ALDH1A1
SCHEMBL10426790 0.77 NPC1 (0.46) GPR119TSHRMAPK1ALDH1A1RECQL
SCHEMBL10426061 0.77 NOS3 (0.40) TDP1OPRM1ALDH1A1NOS3NOS1

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
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 US disclosed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 EP disclosed