SCHEMBL5645840

SCHEMBL5645840

O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2(CN3CCNC3=O)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.78
KLKB1 P03952 2/20 0.59
KCNH2 Q12809 1/20 0.56

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
SCHEMBL5643183 0.87 F10 (0.77) F10KLKB1KCNH2
SCHEMBL5643620 0.86 F10 (0.76) F10KLKB1KCNH2
SCHEMBL5643563 0.85 F10 (0.75) F10KCNH2
SCHEMBL5642495 0.84 F10 (0.75) F10KCNH2
SCHEMBL5642675 0.82 F10 (0.77) F10KCNH2
SCHEMBL5645469 0.82 F10 (0.57) F10KLKB1KCNH2
SCHEMBL5643550 0.81 F10 (0.72) F10KCNH2
SCHEMBL5646551 0.81 F10 (0.67) F10KLKB1KCNH2
SCHEMBL5643311 0.81 F10 (0.71) F10KLKB1KCNH2
SCHEMBL5644532 0.80 F10 (0.60) F10KCNH2

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
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed