SCHEMBL11446489

SCHEMBL11446489

CCCC(=O)N(c1ccc(Cl)cc1)C1CCCC1NC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL11550114 0.96 CNR2 (0.39) MEN1KMT2ASLC6A2SLC6A4TSHR
SCHEMBL11446729 0.90 BCL2A1 (0.37) MEN1KMT2ACNR2SIGMAR1KCNH2
SCHEMBL11547950 0.87 NPC1 (0.38) MEN1KMT2ACNR2SIGMAR1BCL2A1
SCHEMBL11446524 0.85 MEN1 (0.40) MEN1KMT2ASLC6A2SLC6A4TSHR
Ethylbenzene SCHEMBL11570518 0.84 AGER (0.38) MEN1KMT2ASIGMAR1ALDH1A1LMNA
SCHEMBL11434897 0.84 MEN1 (0.39) MEN1KMT2ASLC6A2SLC6A4TSHR
SCHEMBL11447042 0.84 MEN1 (0.39) MEN1KMT2ASLC6A2SLC6A4TSHR
SCHEMBL11456610 0.81 ALDH1A1 (0.34) MEN1KMT2ACNR2SIGMAR1KCNH2
Ethylbenzene SCHEMBL11337300 0.81 AGER (0.40) MEN1KMT2ACNR2SIGMAR1ALDH1A1
SCHEMBL11550110 0.80 MEN1 (0.41) MEN1KMT2ATSHRSIGMAR1ALDH1A1

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-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
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