SCHEMBL5749810

SCHEMBL5749810

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.42
▸ KCNA5 P22460 1/20 0.40
▸ DRD3 P35462 7/20 0.40
▸ DRD2 P14416 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ 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
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HRH2 P25021 3/20 0.37
▸ HRH1 P35367 3/20 0.37
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL5754108 0.94 LTA4H (0.42) LTA4HKCNA5HRH2HRH1SLC6A4
SCHEMBL5752522 0.92 LTA4H (0.41) LTA4HKCNA5ALDH1A1KDM4ELMNA
SCHEMBL2866237 0.92 SLC2A1 (0.43) LTA4HDRD3DRD2ALDH1A1KDM4E
SCHEMBL5753115 0.92 LMNA (0.47) LTA4HKCNA5DRD3DRD2ALDH1A1
SCHEMBL5751728 0.92 LTA4H (0.41) LTA4HALDH1A1KDM4ELMNAMAPT
SCHEMBL5754338 0.92 TDP1 (0.42) LTA4HKCNA5ALDH1A1LMNAMAPT
SCHEMBL5751733 0.91 DRD3 (0.42) LTA4HDRD3DRD2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5754019 0.91 SLC2A1 (0.44) LTA4HDRD3DRD2ALDH1A1KDM4E
SCHEMBL5749995 0.90 LTA4H (0.40) LTA4HKCNA5ALDH1A1KDM4ELMNA
SCHEMBL5753667 0.90 LTA4H (0.39) LTA4HDRD3ALDH1A1KDM4ELMNA

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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