SCHEMBL9542586

SCHEMBL9542586

COC(=O)CN(CCc1cccc(OC)c1)C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
CCKBR P32239 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GHSR Q92847 1/20 0.38
KCNQ2 O43526 1/20 0.37
GAA P10253 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL9543607 0.92 ALDH1A1 (0.39) LMNAMAPTALDH1A1
SCHEMBL9545334 0.91 ALDH1A1 (0.48) LMNAMAPTALDH1A1
SCHEMBL9544945 0.91 ACE (0.39) ALDH1A1
SCHEMBL9542919 0.91 DRD2 (0.40) LMNA
SCHEMBL9543652 0.87 ACE (0.38) ALDH1A1
SCHEMBL9544364 0.86 DRD4 (0.45) ALDH1A1
SCHEMBL9542696 0.84 LMNA (0.42) LMNAMAPT
SCHEMBL9542741 0.84 CFTR (0.37) MAPTALDH1A1
SCHEMBL9542891 0.84 CTSL (0.39)
SCHEMBL9544292 0.83 ALDH1A1 (0.48) MAPTALDH1A1

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