SCHEMBL6989398

SCHEMBL6989398

CN(CCO)Cc1cc(N2CCCC(F)(NS(=O)(=O)c3ccc(Cl)s3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.35
HTR1A P08908 4/20 0.34
HTR7 P34969 4/20 0.34
LMNA P02545 1/20 0.33
DRD2 P14416 3/20 0.33
HTR6 P50406 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32

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
SCHEMBL4679199 0.92 F10 (0.37) F10HTR1AHTR7LMNADRD2
SCHEMBL6989396 0.79 PDCD1 (0.31) PDCD1CD274
SCHEMBL4679197 0.72 F10 (0.35) F10
SCHEMBL6989555 0.71 F10 (0.43) F10LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL6991268 0.71 F10 (0.53) F10HTR1AHTR7DRD2HTR6
SCHEMBL6990703 0.70 F10 (0.49) F10ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL6988024 0.70 F10 (0.45) F10LMNAALDH1A1KMT2AALOX15
SCHEMBL6980681 0.70 F10 (0.45) F10LMNAALDH1A1MAPT
SCHEMBL4680894 0.69 F10 (0.44) F10
SCHEMBL6986546 0.69 F10 (0.42) 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 4 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 claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
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