SCHEMBL7935169

SCHEMBL7935169

CC1(C)CC(Oc2ccccc2)CC(C)(C)N1ON1C(C)(C)CC(Oc2ccccc2)CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 3/20 0.45
TSHR P16473 2/20 0.42
KMT2A Q03164 1/20 0.42
HRH1 P35367 1/20 0.42
SLC6A4 P31645 3/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NAAA Q02083 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA10 Q9GZZ6 2/20 0.34

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
SCHEMBL17287083 0.84 SLC6A2 (0.50) SLC6A2SLC6A3TSHRKMT2AHRH1
SCHEMBL562024 0.82 SLC6A2 (0.45) SLC6A2SLC6A3TSHRKMT2AHRH1
SCHEMBL6754518 0.82 SLC6A2 (0.45) SLC6A2SLC6A3TSHRKMT2AHRH1
SCHEMBL4106868 0.81 TSHR (0.67) SLC6A2SLC6A3TSHRKMT2AHRH1
SCHEMBL4106959 0.79 KMT2A (0.71) SLC6A2SLC6A3TSHRKMT2ASMN1; SMN2
SCHEMBL4100153 0.79 TSHR (0.39) SLC6A2SLC6A3TSHRKMT2AHRH1
SCHEMBL7935184 0.78 SLC6A3 (0.41) SLC6A2SLC6A3HRH1SLC6A4CARM1
SCHEMBL4100145 0.78 TSHR (0.49) SLC6A2SLC6A3TSHRKMT2ASMN1; SMN2
SCHEMBL7933489 0.77 SLC6A2 (0.41) SLC6A2SLC6A3HRH1SLC6A4CARM1
SCHEMBL17287078 0.75 NAAA (0.49) SLC6A2SLC6A3HRH1CARM1PRMT6

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-6265469-B1 BLEND CONTAINING A STERIC HINDERED PIPERIDINYLOXY COMPOUND DU PONT WIREX LTD (TW) 2001-07-24 US disclosed