SCHEMBL6985332

SCHEMBL6985332

Cn1cc(S(N)(=O)=O)nc1C1(F)CCCN(c2ccc(-c3ccccc3)c(S(C)(=O)=O)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
F10 P00742 3/20 0.32
GRM4 Q14833 4/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL4680778 0.90 F10 (0.41) F10ALOX5APFEN1
SCHEMBL6990369 0.79 F10 (0.33) ADORA2AADORA1F10ALOX5APFEN1
SCHEMBL6980798 0.77 LOXL2 (0.33) F10
SCHEMBL6989413 0.75 ALOX5AP (0.33) F10ALOX5APFEN1EGLN1
SCHEMBL6614516 0.74 LOXL2 (0.37) ADORA2AADORA1F10ALOX5APFEN1
SCHEMBL6990707 0.74 F10 (0.40) F10ALOX5APFEN1
SCHEMBL6985337 0.73 LMNA (0.40) F10ALOX5APFEN1
SCHEMBL4680194 0.70 F10 (0.42) F10ALOX5APFEN1
SCHEMBL6989555 0.68 F10 (0.43) F10
SCHEMBL6985663 0.68 F10 (0.45) F10

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