SCHEMBL5753667

SCHEMBL5753667

CCCCCC(c1ccc(C#N)c(C)c1)N1CCN(CCOc2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.39
▸ HRH1 P35367 6/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH2 P25021 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PSMB1 P20618 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL5754338 0.91 TDP1 (0.42) LTA4HHRH3LMNAMAPTALDH1A1
SCHEMBL5754108 0.91 LTA4H (0.42) LTA4HHRH1HRH3HRH2
SCHEMBL5749810 0.90 LTA4H (0.42) LTA4HHRH1HRH3HRH2HTT
SCHEMBL5754307 0.90 CHRNB2 (0.44) DRD3
SCHEMBL5753115 0.89 LMNA (0.47) LTA4HHRH1HRH3HRH2HTT
SCHEMBL5751728 0.89 LTA4H (0.41) LTA4HHRH1HRH3HRH2HTT
SCHEMBL2866237 0.89 SLC2A1 (0.43) LTA4HHRH1HRH3HRH2HTT
SCHEMBL5752522 0.89 LTA4H (0.41) LTA4HHRH1HRH3HRH2HTT
SCHEMBL5756296 0.89 LTA4H (0.41) LTA4HHRH3HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL5754019 0.89 SLC2A1 (0.44) LTA4HHRH1HRH3HRH2HTT

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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