SCHEMBL6563626

SCHEMBL6563626

Cc1cc(CCCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
SPHK1 Q9NYA1 5/20 0.42
SPHK2 Q9NRA0 3/20 0.42
PRSS1 P07477 9/20 0.42
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
F10 P00742 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6565512 0.80 GAA (0.40) F2PRSS1ALDH1A1GAAHSD11B1
SCHEMBL6563410 0.77 GAA (0.40) F2PRSS1ALDH1A1GAAHSD11B1
SCHEMBL6765245 0.77 GAA (0.42) F2PRSS1ALDH1A1GAAHSD11B1
SCHEMBL5885652 0.77 PRSS1 (0.45) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7674335 0.76 PRSS1 (0.49) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL5885656 0.76 PRSS1 (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL6565356 0.74 GAA (0.42) F2PRSS1ALDH1A1GAAHSD11B1
SCHEMBL6563261 0.73 HSD11B1 (0.38) F2PRSS1ALDH1A1GAAHSD11B1
SCHEMBL5099780 0.73 F10 (0.42) F2PRSS1ST14ALDH1A1GAA
SCHEMBL6564299 0.73 GAA (0.36) F2PRSS1ALDH1A1GAAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed