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SCHEMBL9979810

SCHEMBL9979810

CN1CCCN(c2ccc(C(=O)Nc3c(O)cccc3NC(=O)c3ccc(F)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 1.00
▸ KLKB1 P03952 1/20 0.79

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
SCHEMBL9979766 0.91 F10 (1.00) F10KLKB1
SCHEMBL5399618 0.90 F10 (1.00) F10KLKB1
SCHEMBL2230035 0.88 F10 (1.00) F10KLKB1
Darexaban SCHEMBL2227024 0.88 F10 (1.00) F10KLKB1
SCHEMBL9928626 0.87 F10 (0.80) F10KLKB1
SCHEMBL5402101 0.86 F10 (0.79) F10KLKB1
SCHEMBL9928647 0.86 F10 (0.84) F10KLKB1
SCHEMBL9979768 0.86 F10 (0.76) F10KLKB1
SCHEMBL9979733 0.85 F10 (0.83) F10KLKB1
SCHEMBL14338489 0.85 F10 (1.00) F10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 — — US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 — — US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 — — US disclosed