SCHEMBL11246005

SCHEMBL11246005

CN(C)CCCCc1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
HTR7 P34969 2/20 0.53
KDM4E B2RXH2 2/20 0.50
TAAR1 Q96RJ0 2/20 0.46
DPP4 P27487 1/20 0.46
LSS P48449 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL9952490 0.98 SIGMAR1 (0.53) SIGMAR1HTR7KDM4ETAAR1DPP4
SCHEMBL6771706 0.87 TAAR1 (0.60) HTR7KDM4ETAAR1DPP4PDCD1
SCHEMBL9670821 0.82 SIGMAR1 (0.63) SIGMAR1TAAR1ALDH1A1
SCHEMBL12506252 0.80 DPP4 (0.60) HTR7DPP4PDCD1CD274ALDH1A1
SCHEMBL28237237 0.80 TAAR1 (0.49) SIGMAR1HTR7KDM4ETAAR1LSS
Hydrochloric Acid SCHEMBL11264059 0.80 SIGMAR1 (0.45) SIGMAR1HTR7KDM4ETAAR1
SCHEMBL1026184 0.79 PPARA (0.53) DPP4PDCD1CD274
Hydrochloric Acid SCHEMBL11335929 0.79 DPP4 (0.40) SIGMAR1HTR7DPP4PDCD1CD274
SCHEMBL8521601 0.78 LIPG (0.55) DPP4
SCHEMBL251097 0.78 LIPG (0.55) DPP4

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