SCHEMBL21960145

SCHEMBL21960145

O=C(CC(c1ccccc1)c1ccc(Cl)c(Cl)c1)NC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 7/20 0.59
FPR2 P25090 1/20 0.57
FDFT1 P37268 4/20 0.49
GPR34 Q9UPC5 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ACE P12821 3/20 0.46
TACR1 P25103 1/20 0.46
ECE1 P42892 1/20 0.45
MME P08473 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL18228919 1.00 HTRA1 (0.59) HTRA1FPR2FDFT1GPR34KMT2A
SCHEMBL28656150 0.96 FPR2 (0.58) HTRA1FPR2FDFT1GPR34KMT2A
SCHEMBL28656153 0.96 FPR2 (0.58) HTRA1FPR2FDFT1GPR34KMT2A
SCHEMBL18228819 0.94 FPR2 (0.64) HTRA1FPR2FDFT1KMT2AMEN1
SCHEMBL21959742 0.94 FPR2 (0.64) HTRA1FPR2FDFT1KMT2AMEN1
SCHEMBL18228821 0.88 HTRA1 (0.62) HTRA1FPR2FDFT1KMT2AMEN1
SCHEMBL21959743 0.88 HTRA1 (0.62) HTRA1FPR2FDFT1KMT2AMEN1
SCHEMBL19895743 0.87 HTRA1 (0.58) HTRA1FPR2FDFT1GPR34KMT2A
SCHEMBL18228814 0.87 HTRA1 (0.58) HTRA1FPR2FDFT1GPR34KMT2A
SCHEMBL21959738 0.84 HTRA1 (0.62) HTRA1FPR2KMT2AACE

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
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
EP-3294718-B1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed