SCHEMBL7303622

SCHEMBL7303622

CC(C)(C)SCC1(C(=O)NCCC(=O)O)CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7295886 0.92 HTR2C (0.40) MMEHTR2C
SCHEMBL7294378 0.89 MME (0.56) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL7297983 0.82 MME (0.36) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL7294452 0.81 MME (0.61) MMEHTR2AHRH1HTR2CKCNH2
SCHEMBL7294424 0.80 MME (0.40) MME
SCHEMBL7294394 0.80 MME (0.63) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL7294410 0.79 GHSR (0.36) MMEMEN1KMT2A
SCHEMBL7294514 0.78 TSHR (0.41)
SCHEMBL7292554 0.77 ALDH1A1 (0.38) MME
SCHEMBL7291810 0.77 MME (0.42) MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516980-B1 Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors MERRELL PHARMA INC (US) 1996-04-17 EP disclosed
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