Sugi Predict

Sugi Predict / Compounds / SCHEMBL7911664

SCHEMBL7911664

SCHEMBL7911664

NN=CNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21)C(=O)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.50
▸ PLG P00747 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ F10 P00742 1/20 0.47
▸ PRSS1 P07477 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43

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
SCHEMBL7910836 1.00 F2 (0.50) F2PLGPLATF10PRSS1
SCHEMBL7910829 0.89 F2 (0.50) F2PLGPLATF10PRSS1
SCHEMBL7911663 0.89 F2 (0.50) F2PLGPLATF10PRSS1
SCHEMBL5860178 0.85 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL5862727 0.84 F2 (0.57) F2PRSS1TPSAB1
SCHEMBL5860115 0.83 F2 (0.57) F2PRSS1TPSAB1
SCHEMBL5862711 0.80 F2 (0.56) F2PRSS1TPSAB1
SCHEMBL5860382 0.80 PRSS1 (0.46) PRSS1TPSAB1
SCHEMBL7913719 0.80 F2 (0.40) F2
SCHEMBL7910769 0.80 F2 (0.40) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214841-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-04-10 — — US claimed
EP-0884326-A2 Antithrombitic compound ELI LILLY AND COMPANY (US) 1998-12-16 — — EP claimed
US-6214841-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-04-10 — — US disclosed
EP-0884326-A2 Antithrombitic compound ELI LILLY AND COMPANY (US) 1998-12-16 — — EP disclosed