Sugi Predict

Sugi Predict / Compounds / SCHEMBL20879307

SCHEMBL20879307

SCHEMBL20879307

COC(=O)Nc1ccc2c(c1)NC(=O)C(C)CCCC(N1CCC(c3c(F)ccc(Cl)c3F)CC1=O)c1cc-2ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 18/20 1.00
▸ KLKB1 P03952 11/20 0.74
▸ F9 P00740 7/20 0.74
▸ F12 P00748 1/20 0.74
▸ PLAT P00750 1/20 0.74
▸ PROC P04070 1/20 0.74
▸ F7 P08709 1/20 0.74
▸ CTRB1 P17538 1/20 0.74
▸ CTRL P40313 1/20 0.74
▸ CTRB2 Q6GPI1 1/20 0.74
▸ CTRC Q99895 1/20 0.74

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
SCHEMBL14700818 1.00 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL17448707 0.94 F11 (0.88) F11KLKB1F9F12PLAT
SCHEMBL20879291 0.91 F11 (0.84) F11KLKB1F9F12PLAT
SCHEMBL14700815 0.91 F11 (0.84) F11KLKB1F9F12PLAT
SCHEMBL20879149 0.90 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL20879224 0.90 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700844 0.90 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700911 0.89 F11 (0.81) F11KLKB1F9F12PLAT
SCHEMBL14700727 0.89 F11 (1.00) F11KLKB1F9F12PLAT
SCHEMBL14700796 0.89 F11 (1.00) F11KLKB1F9F12PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
Send feedback