SCHEMBL6688078

SCHEMBL6688078

C#CN1CCC1=O.c1cc2ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
PARL Q9H300 2/20 0.32

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
SCHEMBL8660593 0.89
SCHEMBL7338699 0.84 CYP11B1 (0.33)
SCHEMBL1414669 0.75
SCHEMBL2704923 0.73
SCHEMBL10628847 0.71 ALDH1A1 (0.35) HRH3
SCHEMBL10578679 0.64
SCHEMBL7341032 0.61 APP (0.41) HRH3
SCHEMBL1200032 0.61 HRH3 (0.41) HRH3
SCHEMBL621943 0.58 ALDH1A1 (0.49) PARL
SCHEMBL10377287 0.58

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed