SCHEMBL10529931

SCHEMBL10529931

CCCCCCCN(CCCC)CCCCc1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.64
▸ KCNH2 Q12809 5/20 0.59
▸ HTR2A P28223 1/20 0.59
▸ THRA P10827 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL10530872 0.92 KCNH2 (0.71) MAPTKCNH2HTR2ATHRATHRB
SCHEMBL30010815 0.91 MAPT (0.61) MAPTKCNH2HTR2ATHRATHRB
SCHEMBL7932030 0.91 MAPT (0.70) MAPTKCNH2HTR2ATHRATHRB
SCHEMBL22346499 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
SCHEMBL23754742 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
SCHEMBL25171839 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
Undecane SCHEMBL22346217 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
Tridecane SCHEMBL22346186 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
SCHEMBL22346225 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10
SCHEMBL22346501 0.87 HTR2A (0.76) MAPTHTR2AKDM4EALDH1A1HSD17B10

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
Send feedback