Sugi Predict

Sugi Predict / Compounds / SCHEMBL6985267

SCHEMBL6985267

SCHEMBL6985267

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(NC(=O)c3cccc(Cl)c3)C2=O)c1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 12/20 0.55
▸ F10 P00742 7/20 0.51
▸ FPR1 P21462 9/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 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
SCHEMBL6987862 0.91 F10 (0.54) FPR2F10FPR1
SCHEMBL6988832 0.88 FPR2 (0.49) FPR2F10FPR1
SCHEMBL6988559 0.88 FPR2 (0.50) FPR2F10FPR1
SCHEMBL6981073 0.88 F10 (0.56) FPR2F10FPR1
SCHEMBL6985111 0.86 F10 (0.49) FPR2F10FPR1
SCHEMBL6988797 0.83 F10 (0.44) FPR2F10FPR1
SCHEMBL28689753 0.83 FPR2 (0.67) FPR2FPR1
SCHEMBL28382471 0.83 FPR2 (0.67) FPR2FPR1
SCHEMBL4682787 0.82 FPR2 (0.80) FPR2F10FPR1
SCHEMBL28381115 0.80 F10 (0.48) FPR2F10FPR1

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 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