SCHEMBL5754108

SCHEMBL5754108

CCCCCC(c1ccc(C#N)c(C)c1)N1CCN(CCOc2ccc(C#N)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ HRH3 Q9Y5N1 13/20 0.42
▸ HRH2 P25021 11/20 0.42
▸ HRH1 P35367 11/20 0.42
▸ KCNA5 P22460 3/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL5749810 0.94 LTA4H (0.42) LTA4HHRH3HRH2HRH1KCNA5
SCHEMBL5751728 0.93 LTA4H (0.41) LTA4HHRH3HRH2HRH1SLC6A4
SCHEMBL5753115 0.93 LMNA (0.47) LTA4HHRH3HRH2HRH1KCNA5
SCHEMBL2866237 0.93 SLC2A1 (0.43) LTA4HHRH3HRH2HRH1SLC6A4
SCHEMBL5752522 0.93 LTA4H (0.41) LTA4HHRH3HRH2HRH1KCNA5
SCHEMBL5754338 0.93 TDP1 (0.42) LTA4HHRH3KCNA5
Hydrochloric Acid SCHEMBL5754019 0.92 SLC2A1 (0.44) LTA4HHRH3HRH2HRH1SLC6A4
SCHEMBL5749995 0.91 LTA4H (0.40) LTA4HHRH3HRH2HRH1KCNA5
SCHEMBL5753861 0.91 HRH1 (0.40) LTA4HHRH2HRH1MEN1
SCHEMBL5753667 0.91 LTA4H (0.39) LTA4HHRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 — — EP claimed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 — — US claimed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 — — EP claimed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 — — EP disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 — — US disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 — — EP disclosed
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