SCHEMBL9279311

SCHEMBL9279311

CC(CN1CCCC1)N(C)C(=O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ CHRNA1 P02708 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ CHRND Q07001 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KDM2B Q8NHM5 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL9100051 0.88 CHRNA1 (0.49) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9100040 0.88 CHRNA1 (0.49) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL31478950 0.88 CHRNA1 (0.49) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9102500 0.87 CHRNA1 (0.51) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9102498 0.87 CHRNA1 (0.51) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9104582 0.85 CHRNA1 (0.46) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9104592 0.85 CHRNA1 (0.46) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9102981 0.81 CHRNA1 (0.47) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL31478927 0.81 CHRNA1 (0.47) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9102990 0.81 CHRNA1 (0.47) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG

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-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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