SCHEMBL18404641

SCHEMBL18404641

C=C(C)CC(=C)N1CCCC1COc1ccccc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
RBP4 P02753 3/20 0.45
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL18404637 0.87 DPP4 (0.44) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL18404235 0.86 DPP4 (0.48) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL18404334 0.83 DPP4 (0.47) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL18404311 0.83 DPP4 (0.44) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL3098982 0.81 FFAR1 (0.53) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL13034573 0.80 RBP4 (0.53) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL3106079 0.80 RBP4 (0.64) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL3113607 0.79 DPP4 (0.52) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL3114289 0.77 RBP4 (0.54) DPP4RBP4FFAR1CYP1A2CYP2D6
SCHEMBL3110995 0.77 RBP4 (0.49) DPP4RBP4FFAR1CYP1A2CYP2D6

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
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed