SCHEMBL11779231

SCHEMBL11779231

CCCC(C)N(C(=O)c1cc(Cl)cc(Cl)c1)C(C)CCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ TPMT P51580 1/20 0.38
▸ GRN P28799 3/20 0.38
▸ SORT1 Q99523 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PSEN1 P49768 7/20 0.36
▸ PSEN2 P49810 7/20 0.36
▸ APH1B Q8WW43 7/20 0.36
▸ NCSTN Q92542 7/20 0.36
▸ APH1A Q96BI3 7/20 0.36
▸ PSENEN Q9NZ42 7/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 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
SCHEMBL11781217 0.86 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TPMTGRN
SCHEMBL11784202 0.84 ALDH1A1 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL11783170 0.80 TSHR (0.54) SLC6A2SLC6A4SLC6A3GRNSORT1
SCHEMBL11783465 0.78 GPR139 (0.41) SLC6A2SLC6A4SLC6A3TPMTGRN
SCHEMBL11779998 0.76 TSHR (0.50) SLC6A2SLC6A4SLC6A3GRNSORT1
SCHEMBL11780806 0.73 L3MBTL1 (0.48) SLC6A2SLC6A3ALDH1A1POLBKMT2A
SCHEMBL7239319 0.72 HCAR1 (0.53) SLC6A2SLC6A4SLC6A3TPMTGRN
SCHEMBL11783503 0.72 HPGD (0.45) SLC6A2SLC6A4SLC6A3TPMTGRN
SCHEMBL11781707 0.72 HPGD (0.50) TPMTALDH1A1HPGDKMT2A
SCHEMBL11782049 0.71 HSP90AA1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD

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-3982931-A N,N-di-sec.butyl-benzamide herbicides MONTEDISON S.P.A. (IT) 1976-09-28 — — US disclosed
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