SCHEMBL6561673

SCHEMBL6561673

CCOC(=O)Cc1cc(C#CCNc2ccc(C(=N)N)cc2)c(C)cc1C(=O)N1CCCC1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.35
PLG P00747 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 1/20 0.34
F2 P00734 4/20 0.33
HPGD P15428 2/20 0.33
HSD11B1 P28845 1/20 0.33
NAMPT P43490 1/20 0.33
F10 P00742 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6564299 0.91 GAA (0.36) PRSS1MEN1KMT2AITGB3ITGA2B
SCHEMBL6563410 0.88 GAA (0.40) PRSS1MEN1TSHRKMT2AGAA
SCHEMBL6563507 0.87 KCNK3 (0.31) MEN1TSHRKMT2AGAAALDH1A1
SCHEMBL7806169 0.86 NR1I2 (0.34) MEN1TSHRKMT2AITGB3ITGA2B
SCHEMBL6565356 0.82 GAA (0.42) PRSS1MEN1KMT2AGAAALDH1A1
SCHEMBL6565512 0.80 GAA (0.40) PRSS1MEN1KMT2AGAAALDH1A1
SCHEMBL7671224 0.79 PRSS1 (0.35) PRSS1PLGPRSS2PRSS3ST14
SCHEMBL6563266 0.77 LRRK2 (0.42) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL6561984 0.77 MEN1 (0.40) PRSS1PLGPRSS2PRSS3ST14
SCHEMBL6565486 0.77 PLAU (0.41) MEN1TSHRKMT2AITGB3ITGA2B

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 7 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 claimed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US claimed
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
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed