SCHEMBL5752522

SCHEMBL5752522

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.41
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH2 P25021 5/20 0.35
▸ HRH1 P35367 5/20 0.35
▸ HRH3 Q9Y5N1 6/20 0.35

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 0.93 LTA4H (0.42) LTA4HMEN1HRH2HRH1HRH3
SCHEMBL5749810 0.92 LTA4H (0.42) LTA4HALDH1A1RAB9AHTTHPGD
SCHEMBL5753115 0.91 LMNA (0.47) LTA4HPTGS2ALDH1A1RAB9AHTT
SCHEMBL2866237 0.91 SLC2A1 (0.43) LTA4HALDH1A1RAB9AHTTHPGD
SCHEMBL5751728 0.91 LTA4H (0.41) LTA4HPTGS2ALDH1A1RAB9AHTT
SCHEMBL5754338 0.91 TDP1 (0.42) LTA4HALDH1A1LMNAMAPTSLC2A1
Hydrochloric Acid SCHEMBL5754019 0.90 SLC2A1 (0.44) LTA4HALDH1A1RAB9AHTTHPGD
SCHEMBL5749995 0.90 LTA4H (0.40) LTA4HALDH1A1RAB9AHTTHPGD
SCHEMBL5753667 0.89 LTA4H (0.39) LTA4HALDH1A1RAB9AHTTHPGD
SCHEMBL5756296 0.89 LTA4H (0.41) LTA4HALDH1A1RAB9AHTTHPGD

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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