SCHEMBL6989016

SCHEMBL6989016

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2Cc3ccccc3C(N)C2=O)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
SLC6A9 P48067 1/20 0.32
ANPEP P15144 2/20 0.32
BRD4 O60885 1/20 0.31
FPR1 P21462 2/20 0.30
FPR2 P25090 2/20 0.30
F10 P00742 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL6987989 0.80 F10 (0.32) F10
SCHEMBL28703156 0.79 F10 (0.42) FPR1FPR2F10
SCHEMBL27613671 0.78 FPR1 (0.39) SLC6A9FPR1FPR2F10
SCHEMBL6987993 0.78 F10 (0.45) F10
SCHEMBL4683472 0.76 F10 (0.52) FPR1FPR2F10
SCHEMBL6989708 0.73 F10 (0.42) FPR1FPR2F10
SCHEMBL27613708 0.71 FPR1 (0.39) SLC6A9FPR1FPR2F10
SCHEMBL27613709 0.69 FPR1 (0.47) FPR1FPR2
SCHEMBL28704466 0.69 F10 (0.43) SLC6A9FPR1FPR2F10
SCHEMBL7411266 0.69 PTGS2 (0.43) PTGS2PTGS1

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed