SCHEMBL18554139

SCHEMBL18554139

O=C(CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
ACE P12821 6/20 0.40
SCD5 Q86SK9 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
DAGLA Q9Y4D2 3/20 0.39

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
SCHEMBL18576667 1.00 HRH3 (0.46) HRH3KCNH2CHRM2CHRM4CHRM1
SCHEMBL18554136 1.00 HRH3 (0.46) HRH3KCNH2CHRM2CHRM4CHRM1
SCHEMBL18576607 1.00 HRH3 (0.46) HRH3KCNH2CHRM2CHRM4CHRM1
SCHEMBL18554135 1.00 HRH3 (0.46) HRH3KCNH2CHRM2CHRM4CHRM1
SCHEMBL18554134 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8
SCHEMBL18554133 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8
SCHEMBL18554259 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8
SCHEMBL18554137 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8
SCHEMBL18576606 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8
SCHEMBL18554262 0.83 HRH3 (0.48) HRH3KCNH2DPP4FAPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017033128-A1 BIPHENYL-SUBSTITUED 4-AMINO-BUTYRIC ACID DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF NEP INHIBITORS NOVARTIS AG (CH) 2017-03-02 WO disclosed