SCHEMBL8498489

SCHEMBL8498489

Cc1ccc(C2CNCCN2C([NH])=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 3/20 0.37
ADRB1 P08588 1/20 0.37
RIPK1 Q13546 1/20 0.36
TACR1 P25103 2/20 0.36
ADCY5 O95622 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16261916 0.87 DPP4 (0.41) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL794507 0.85 DPP4 (0.43) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL8496002 0.85 DPP4 (0.45) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL14461955 0.82 KMT2A (0.44) DPP4DPP7MEN1KMT2A
SCHEMBL28956573 0.79 ADRB1 (0.37) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL8498209 0.77 KMT2A (0.46) ADRB1MEN1CYP2D6KMT2A
SCHEMBL3338258 0.75 LMNA (0.44) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL6026785 0.74 ADRB1 (0.43) HTR2CADRB1ADCY5
SCHEMBL7467909 0.74 DPP4 (0.54) DPP4DPP7HTR2AHTR2CHTR2B
SCHEMBL3449047 0.73 ADRB1 (0.39) HTR2AHTR2CHTR2BADRB1ADCY5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed