SCHEMBL7320924

SCHEMBL7320924

O=C(O)CCCCCCCNC(=O)C1(CS)CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
HTR2C P28335 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPK1 P28482 1/20 0.41
MMP8 P22894 1/20 0.40
LMNA P02545 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
SCHEMBL7293970 1.00 MME (0.56) MMEHTR2CSLC6A3MAPK1MMP8
SCHEMBL7294452 0.90 MME (0.61) MMEHTR2C
SCHEMBL7295886 0.83 HTR2C (0.40) MMEHTR2CSLC6A3MAPK1MMP8
SCHEMBL7294105 0.83 MME (0.82) MMEMMP8
SCHEMBL7301621 0.73 MME (1.00) MMEMAPK1MMP8
SCHEMBL7294573 0.72 MME (0.57) MME
SCHEMBL7294567 0.72 MME (0.57) MME
Bicarbonate SCHEMBL7323197 0.71 MME (0.48) MME
SCHEMBL7293268 0.71 MME (0.48) MME
SCHEMBL7293478 0.70 MME (0.47) MMEHTR2C

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
US-5252601-A 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-12 US disclosed
EP-0516980-A1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-12-09 EP disclosed