SCHEMBL6979406

SCHEMBL6979406

COC(=O)C1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1c1cccc(C(=N)N)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
F10 P00742 10/20 0.44
PRSS1 P07477 8/20 0.44
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36

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
SCHEMBL6979402 1.00 ALDH1A1 (0.44) ALDH1A1F10PRSS1MAPTLMNA
SCHEMBL6978940 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6978936 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6978933 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6978845 0.83 F10 (0.54) F10PRSS1
SCHEMBL6978851 0.83 F10 (0.54) F10PRSS1
SCHEMBL6978771 0.71 F10 (0.53) F10PRSS1PDE4B
SCHEMBL6978777 0.71 F10 (0.53) F10PRSS1PDE4B
SCHEMBL7539613 0.70 F10 (0.62) F10PRSS1
SCHEMBL6985341 0.70 MEN1 (0.41) ALDH1A1F10PRSS1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP claimed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US claimed
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP claimed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO claimed
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed