SCHEMBL18536152

SCHEMBL18536152

CC1CCCC(N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 20/20 1.00
▸ F11 P03951 20/20 1.00
▸ KLKB1 P03952 20/20 1.00

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
SCHEMBL15594144 1.00 F9 (1.00) F9F11KLKB1
SCHEMBL18536239 0.94 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594105 0.94 KLKB1 (1.00) F9F11KLKB1
SCHEMBL18536000 0.93 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594195 0.93 KLKB1 (1.00) F9F11KLKB1
SCHEMBL18536238 0.92 F9 (0.91) F9F11KLKB1
SCHEMBL15594239 0.92 F9 (1.00) F9F11KLKB1
SCHEMBL18536364 0.92 F9 (1.00) F9F11KLKB1
SCHEMBL15593995 0.92 KLKB1 (1.00) F9F11KLKB1
SCHEMBL15594146 0.91 KLKB1 (1.00) F9F11KLKB1

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-2880026-B1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-22 — — EP disclosed
Send feedback