SCHEMBL10530872

SCHEMBL10530872

CCCCCCCN(CC)CCCCc1ccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.71
▸ HTR2A P28223 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ ADRA2A P08913 3/20 0.51
▸ SLC6A2 P23975 3/20 0.51
▸ SLC6A4 P31645 3/20 0.51
▸ SLC6A3 Q01959 3/20 0.51
▸ CHRM2 P08172 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL9624160 0.93 KCNH2 (0.62) KCNH2HTR2AMAPTADRA2ASLC6A2
SCHEMBL10529931 0.92 MAPT (0.64) KCNH2HTR2AMAPTADRA2ASLC6A2
SCHEMBL5632446 0.90 KCNH2 (0.56) KCNH2HTR2AMAPTADRA2ASLC6A2
SCHEMBL22403770 0.88 KCNH2 (0.66) KCNH2MAPTADRA2ASLC6A2SLC6A4
SCHEMBL30010815 0.86 MAPT (0.61) KCNH2HTR2AMAPTOPRM1DRD3
SCHEMBL23754742 0.86 HTR2A (0.76) HTR2AMAPTADRA2ASLC6A2SLC6A4
SCHEMBL22346250 0.86 HTR2A (0.76) HTR2AMAPTADRA2ASLC6A2SLC6A4
SCHEMBL22346499 0.86 HTR2A (0.76) HTR2AMAPTADRA2ASLC6A2SLC6A4
SCHEMBL25171839 0.86 HTR2A (0.76) HTR2AMAPTADRA2ASLC6A2SLC6A4
SCHEMBL22346194 0.86 HTR2A (0.76) HTR2AMAPTADRA2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178874-B1 ALKYLSULFONAMIDOPHENYLALKYLAMINES ELI LILLY AND COMPANY (US) 1989-04-05 — — EP disclosed
EP-0107452-B1 IMPROVEMENTS IN OR RELATING TO IMAGING AGENTS ELI LILLY AND COMPANY (US) 1987-02-04 — — EP disclosed
US-4596827-A Antiarrhythmia agents ELI LILLY AND COMPANY (US) 1986-06-24 — — US disclosed
EP-0178874-A1 Alkylsulfonamidophenylalkylamines ELI LILLY AND COMPANY (US) 1986-04-23 — — EP disclosed
US-4569801-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1986-02-11 — — US disclosed
US-4528177-A Imaging agents and method ELI LILLY AND COMPANY (US) 1985-07-09 — — US disclosed
EP-0107452-A1 Improvements in or relating to imaging agents ELI LILLY AND COMPANY (US) 1984-05-02 — — EP disclosed
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