SCHEMBL7301582

SCHEMBL7301582

O=C(CCC(=O)N1CCC[C@H]1C(=O)C[S+]([O-])c1ccccc1)NCc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.48
F2 P00734 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7301585 1.00 LMNA (0.50) LMNAPOLBF2SMN1; SMN2HRH3
SCHEMBL29416795 0.82 LMNA (0.55) LMNAPOLBF2SMN1; SMN2HRH3
SCHEMBL7289930 0.82 LMNA (0.55) LMNAPOLBF2SMN1; SMN2HRH3
SCHEMBL7304558 0.82 LMNA (0.49) LMNAPOLBF2SMN1; SMN2HRH3
SCHEMBL7306911 0.76 F2 (0.48) POLBF2SMN1; SMN2
SCHEMBL7306906 0.76 F2 (0.48) POLBF2SMN1; SMN2
SCHEMBL7306914 0.76 F2 (0.48) POLBF2SMN1; SMN2
SCHEMBL7291612 0.75 LMNA (0.52) LMNAPOLBSMN1; SMN2HRH3DPP4
SCHEMBL7301151 0.74 MEN1 (0.48) F2
SCHEMBL7301163 0.74 MEN1 (0.48) 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
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP claimed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed