Sugi Predict

Sugi Predict / Compounds / SCHEMBL9544247

SCHEMBL9544247

SCHEMBL9544247

O=C(Cc1c[nH]c2ccccc12)NC(Cc1ccccc1)C(=O)N(CCC1CCCCC1)CC(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.47
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ACE P12821 8/20 0.42
▸ ACE2 Q9BYF1 5/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9544251 1.00 TACR1 (0.47) TACR1BCHEACHEACEACE2
SCHEMBL9544249 1.00 TACR1 (0.47) TACR1BCHEACHEACEACE2
SCHEMBL9542838 0.93 BCHE (0.45) TACR1BCHEACHEACECYP2C19
SCHEMBL9542836 0.93 BCHE (0.45) TACR1BCHEACHEACECYP2C19
SCHEMBL9542655 0.90 BCHE (0.44) BCHEACHEACEACE2CYP2C19
SCHEMBL9542661 0.90 BCHE (0.44) BCHEACHEACEACE2CYP2C19
SCHEMBL9544444 0.89 BCHE (0.43) BCHEACHEACEACE2CYP2C19
SCHEMBL9544842 0.88 BCHE (0.44) TACR1BCHEACHE
SCHEMBL9545034 0.87 BCHE (0.47) TACR1BCHEACHESIGMAR1
SCHEMBL9545030 0.87 BCHE (0.47) TACR1BCHEACHESIGMAR1

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed