SCHEMBL7714178

SCHEMBL7714178

CC(Oc1cccc(C(NC(C)(C)C)C(C)C)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
CACNA1D Q01668 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGS1 P23219 1/20 0.39
FFAR1 O14842 1/20 0.39
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL6544199 0.78 CHRM2 (0.55) ALDH1A1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL8765671 0.73 FFAR1 (0.49) ADRA1APTGS1FFAR1LTB4RLTB4R2
SCHEMBL4363303 0.72 FFAR1 (0.56) ADRA2BKCNH2SLC6A4FFAR1LTB4R
SCHEMBL12182460 0.72 ACHE (0.48) ALDH1A1PTGS1FFAR1LTB4RLTB4R2
SCHEMBL12182421 0.72 ACHE (0.48) ALDH1A1PTGS1FFAR1LTB4RLTB4R2
SCHEMBL1070173 0.72 CASR (0.50) FFAR1IGLV6-57ALOX5CASR
SCHEMBL1070170 0.72 CASR (0.50) FFAR1IGLV6-57ALOX5CASR
SCHEMBL11999010 0.71 LTB4R (0.48) PTGS1FFAR1LTB4RLTB4R2IGLV6-57
SCHEMBL8765663 0.70 FFAR1 (0.49) PTGS1FFAR1LTB4RLTB4R2IGLV6-57
SCHEMBL21477275 0.70 FFAR1 (0.45) PTGS1FFAR1LTB4RLTB4R2IGLV6-57

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
US-20020010267-A1 Polymer segment characterized by a high degree of control over molecular weight, particle size, polydispersity; especially produced using a nitroxide control agent that can be a stable free radical or as an adduct with the initiator SYMYX TECHNOLOGIES, INC., A DELAWARE CORPORATION 2002-01-24 US disclosed