SCHEMBL6801042

SCHEMBL6801042

Cc1cc(N2CCC(N(CC#N)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3=O)CC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.53
F2 P00734 1/20 0.53
PLAT P00750 1/20 0.53
KLKB1 P03952 1/20 0.53

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
SCHEMBL6796176 0.90 F10 (0.54) F10
SCHEMBL5729382 0.88 F10 (0.57) F10F2PLATKLKB1
SCHEMBL5729991 0.87 F10 (0.56) F10F2PLATKLKB1
SCHEMBL5728845 0.87 F10 (0.58) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5728947 0.86 F10 (0.57) F10F2PLATKLKB1
SCHEMBL5729985 0.82 F10 (0.55) F10F2PLATKLKB1
SCHEMBL5729212 0.82 F10 (0.55) F10
SCHEMBL5728849 0.81 F10 (0.56) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5729562 0.81 F10 (0.56) F10F2PLATKLKB1
SCHEMBL5729630 0.80 F10 (0.53) F10

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-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed