SCHEMBL8104910

SCHEMBL8104910

CCOC(=O)N1CCc2c(c3ccccc3n2CC(=O)OC)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.61
AKR1B1 P15121 1/20 0.61
PTGDR2 Q9Y5Y4 10/20 0.59
CYP2C9 P11712 3/20 0.55
HDAC6 Q9UBN7 4/20 0.53
HDAC1 Q13547 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
PTGER2 P43116 2/20 0.52
PTGDR Q13258 2/20 0.52
HDAC10 Q969S8 2/20 0.51
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2087562 0.89 PTGDR2 (0.75) AKR1B10AKR1B1PTGDR2CYP2C9HDAC6
SCHEMBL2246361 0.88 PTGDR2 (0.66) PTGDR2CYP2C9HDAC6HDAC1KDM4E
SCHEMBL23148492 0.88 PTGDR2 (0.59) AKR1B10AKR1B1PTGDR2CYP2C9HDAC6
SCHEMBL2248432 0.87 HDAC6 (0.66) AKR1B10AKR1B1PTGDR2CYP2C9HDAC6
SCHEMBL29224005 0.86 PTGDR2 (0.64) AKR1B10AKR1B1PTGDR2CYP2C9KDM4E
SCHEMBL14067841 0.85 HDAC1 (0.61) AKR1B10AKR1B1PTGDR2CYP2C9HDAC6
SCHEMBL8039548 0.83 HDAC6 (0.69) AKR1B10AKR1B1PTGDR2HDAC6HDAC1
SCHEMBL12868112 0.83 KDM4E (0.57) AKR1B10AKR1B1PTGDR2CYP2C9KDM4E
SCHEMBL14067778 0.81 KDM4E (0.61) PTGDR2HDAC6HDAC1KDM4ELMNA
SCHEMBL8041005 0.80 HDAC6 (0.60) AKR1B10AKR1B1PTGDR2HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716661-B1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS INC (US) 2000-04-05 EP disclosed
US-5817756-A USING A MODIFIED DI- OR TRI-PEPTIDES SCIOS INC. (US) 1998-10-06 US disclosed
EP-0716661-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1996-06-19 EP disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed