SCHEMBL11243820

SCHEMBL11243820

CN(C)CCCC(O)c1ccc(F)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KDM4E B2RXH2 3/20 0.41
KIF11 P52732 1/20 0.39
HTR7 P34969 2/20 0.38
UTS2R Q9UKP6 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LSS P48449 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 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
SCHEMBL11253254 0.88 SIGMAR1 (0.43) KCNH2
SCHEMBL11255519 0.87 SIGMAR1 (0.39) KDM4EKIF11KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL11261152 0.86 CHRM3 (0.36) HTR2AHRH1KCNH2CHRM2CHRM4
SCHEMBL11335854 0.84 UTS2R (0.45) HTR2AHRH1UTS2R
Hydrochloric Acid SCHEMBL11277460 0.83 UTS2R (0.44) HTR2AHRH1UTS2R
Hydrochloric Acid SCHEMBL11248207 0.81 HTR2A (0.49) HTR2AHRH1KDM4EHTR7UTS2R
SCHEMBL11333840 0.79 KDM4E (0.45) KDM4EKCNH2ALDH1A1CHRM3ADRB2
SCHEMBL11253048 0.78 ADRB2 (0.41) KCNH2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL11343391 0.77 RIPK1 (0.38) KIF11KCNH2CHRM1CHRM3ADRB2
Hydrochloric Acid SCHEMBL11256182 0.77 ADRB2 (0.40) KCNH2ALDH1A1CHRM3ADRB2ADRB1

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
US-4277471-A 1,1-Biphenyl-2-yl alkylamines, formulations and antiarrhythmic treatment ELI LILLY AND COMPANY (US) 1981-07-07 US claimed
EP-0015776-B1 1,1'-BIPHENYL-2-YL ALKYLAMINE DERIVATIVES, THEIR PRODUCTION AND CARDIOVASCULAR PREPARATIONS CONTAINING SAME ELI LILLY AND COMPANY (US) 1982-06-30 EP disclosed
US-4277471-A 1,1-Biphenyl-2-yl alkylamines, formulations and antiarrhythmic treatment ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed
EP-0015776-A1 1,1'-Biphenyl-2-yl alkylamine derivatives, their production and cardiovascular preparations containing same ELI LILLY AND COMPANY (US) 1980-09-17 EP disclosed