SCHEMBL26427682

SCHEMBL26427682

C=NC(=O)[C@@H]1CCCN1C(=O)CCc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
FKBP1A P62942 1/20 0.45
UTS2R Q9UKP6 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CCR4 P51679 1/20 0.42
NAAA Q02083 1/20 0.41
CYP1A2 P05177 1/20 0.40
ACE P12821 1/20 0.40
HCAR2 Q8TDS4 1/20 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
SCHEMBL26429177 0.86 F2 (0.58) F2ACE
SCHEMBL26428633 0.83 F2 (0.64) F2NAAAACE
SCHEMBL26424878 0.83 F2 (0.48) F2HRH3CYP1A2
SCHEMBL26429154 0.81 F2 (0.53) F2FKBP1A
SCHEMBL26426169 0.80 F2 (0.52) F2ACE
SCHEMBL26418988 0.80 PREP (0.45) F2UTS2R
SCHEMBL26429142 0.77 F2 (0.47) F2ACE
SCHEMBL26423082 0.76 ACE (0.42) F2ACE
SCHEMBL7292202 0.75 CYP1A2 (0.49) F2FKBP1AUTS2RHRH3CCR4
SCHEMBL6431085 0.74 TACR1 (0.55) F2

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
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed