SCHEMBL6613640

SCHEMBL6613640

O=C(O)NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SLC18A3 Q16572 1/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ FPR2 P25090 2/20 0.42
▸ PROKR1 Q8TCW9 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ FAAH O00519 1/20 0.40

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
Cyclohexane SCHEMBL5497140 0.99 SIGMAR1 (0.46) SIGMAR1ALDH1A1SLC18A3CCR3SLC6A2
SCHEMBL6304036 0.89 SIGMAR1 (0.58) SIGMAR1ALDH1A1SLC18A3CCR3
SCHEMBL6304033 0.89 SIGMAR1 (0.58) SIGMAR1ALDH1A1SLC18A3CCR3
SCHEMBL6310906 0.88 CHRNA7 (0.48) SIGMAR1ALDH1A1
SCHEMBL6310911 0.88 CHRNA7 (0.48) SIGMAR1ALDH1A1
SCHEMBL6310642 0.88 MCOLN2 (0.48) ALDH1A1SLC18A3CCR3SLC6A2SLC6A3
SCHEMBL6310636 0.88 MCOLN2 (0.48) ALDH1A1SLC18A3CCR3SLC6A2SLC6A3
SCHEMBL6307066 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR3
SCHEMBL6307072 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1CCR3
SCHEMBL6304074 0.86 MEN1 (0.50) SIGMAR1ALDH1A1CCR3FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453825-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 — — EP disclosed
WO-2003045937-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO disclosed
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