SCHEMBL11249397

SCHEMBL11249397

CN(C)CCC(O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
UTS2R Q9UKP6 2/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
Hydrochloric Acid SCHEMBL11248207 0.90 HTR2A (0.49) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11250946 0.81 CHRM1 (0.36) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11488301 0.81 HTR7 (0.47) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11334274 0.81 CHRM1 (0.40) KDM4EALDH1A1SMN1; SMN2ADRB2CHRM1
Hydrochloric Acid SCHEMBL11500011 0.80 ALDH1A1 (0.36) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11334916 0.80 ABCB1 (0.40) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11251898 0.80 SCN1A (0.49) KDM4EALDH1A1SMN1; SMN2CHRM1CHRM2
Hydrochloric Acid SCHEMBL11256664 0.78 ABCB1 (0.39) HTR2AHRH1KDM4EALDH1A1ADRB2
SCHEMBL11250041 0.78 ALDH1A1 (0.46) HTR7HTR2AHRH1KDM4EALDH1A1
SCHEMBL11289438 0.77 DPP4 (0.42) HTR2AHRH1ALDH1A1CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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