SCHEMBL7416846

SCHEMBL7416846

CC([O])Cc1cccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
TAAR1 Q96RJ0 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.41
EED O75530 2/20 0.41
AOC3 Q16853 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL10148114 0.86 GABRA1 (0.47) MTNR1ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4826400 0.83 LMNA (0.44) MTNR1ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL394419 0.83 TAAR1 (0.58) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL18462466 0.83 TAAR1 (0.42) MTNR1ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4208995 0.82 KDM4C (0.40) MTNR1ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2168952 0.80 EED (0.46) MTNR1ALMNAEEDAOC3KDM4C
SCHEMBL2602430 0.80 EED (0.46) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL29791651 0.80 EED (0.46) MTNR1ALMNAEEDAOC3KDM4C
SCHEMBL7377233 0.77 KDM4C (0.47) MTNR1ALMNAEEDKDM4CFAAH
SCHEMBL14518837 0.76 MTNR1A (0.46) MTNR1ALMNAEEDKDM4CHTR2A

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-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed