SCHEMBL5829868

SCHEMBL5829868

CO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cn2)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.64
▸ GRM5 P41594 13/20 0.54
▸ KLKB1 P03952 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ HPGD P15428 1/20 0.41

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
SCHEMBL3833408 0.92 F10 (0.64) F10GRM5KLKB1
SCHEMBL3830346 0.89 F10 (0.53) F10GRM5KLKB1CNR1CNR2
SCHEMBL3835622 0.83 F10 (0.58) F10GRM5KLKB1
SCHEMBL3830318 0.82 F10 (0.65) F10KLKB1CNR1CNR2
SCHEMBL8272855 0.82 F10 (0.70) F10KLKB1
SCHEMBL14143311 0.80 ABL1 (0.44) F10HPGD
SCHEMBL3830434 0.80 F10 (0.55) F10KLKB1CNR1CNR2
SCHEMBL3830301 0.80 F10 (0.63) F10GRM5CNR1CNR2HPGD
SCHEMBL3830916 0.80 F10 (0.64) F10KLKB1
SCHEMBL3835344 0.79 F10 (0.49) F10KLKB1HPGD

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-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US claimed
Send feedback