SCHEMBL10529828

SCHEMBL10529828

CCCCCCCN(CC)C(C)CCCc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ KCNH2 Q12809 5/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ S1PR2 O95136 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ ADRA2A P08913 2/20 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
SCHEMBL10529039 0.93 MAPT (0.46) HTR2AKCNH2MAPTKDM4EALDH1A1
SCHEMBL10531208 0.81 KCNH2 (0.65) KCNH2MAPTALDH1A1
SCHEMBL10896046 0.79 KCNH2 (0.53) HTR2AKCNH2KDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL11228627 0.76 KCNH2 (0.59) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL10530872 0.76 KCNH2 (0.71) HTR2AKCNH2MAPTKDM4EALDH1A1
SCHEMBL23754735 0.75 HTR2A (0.76) HTR2AMAPTKDM4EALDH1A1HSD17B10
Undecane SCHEMBL22346217 0.75 HTR2A (0.76) HTR2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL22346191 0.75 HTR2A (0.69) HTR2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL25171839 0.75 HTR2A (0.76) HTR2AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL22346499 0.75 HTR2A (0.76) HTR2AMAPTKDM4EALDH1A1HSD17B10

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 4 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
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
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