SCHEMBL11289438

SCHEMBL11289438

NCCC(O)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
HRH1 P35367 2/20 0.41
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
BACE1 P56817 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
KMT2A Q03164 1/20 0.37
BCAT2 O15382 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HTR2A P28223 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL11297396 0.91 HRH1 (0.46) DPP4HRH1CHRM1CHRM3TP53
SCHEMBL11374085 0.89 MMP2 (0.40) DPP4HRH1CHRM1CHRM3TP53
SCHEMBL22445659 0.86 DPP4 (0.47) DPP4TP53MAPK1RAB9AALDH1A1
SCHEMBL11334274 0.81 CHRM1 (0.40) CHRM1CHRM3RAB9AALDH1A1HSD17B10
SCHEMBL31376578 0.80 ALDH1A1 (0.43) DPP4CHRM1CHRM3MAPK1ALDH1A1
SCHEMBL7012979 0.80 ALDH1A1 (0.43) DPP4CHRM1CHRM3MAPK1ALDH1A1
SCHEMBL7012982 0.80 ALDH1A1 (0.43) DPP4CHRM1CHRM3MAPK1ALDH1A1
SCHEMBL4449616 0.80 CHRM1 (0.39) DPP4CHRM1CHRM3ALDH1A1HSD17B10
SCHEMBL11489696 0.78 DPP4 (0.42) DPP4HRH1TP53MAPK1RAB9A
SCHEMBL11249397 0.77 HTR7 (0.46) HRH1CHRM1CHRM3ALDH1A1KMT2A

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