SCHEMBL6561849

SCHEMBL6561849

CCOC(=O)Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.37
PRSS1 P07477 3/20 0.37
ACACB O00763 1/20 0.37
RAB9A P51151 3/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.35
F2 P00734 4/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6563778 0.92 F10 (0.36) F10PRSS1ACACBRAB9ATPSAB1
SCHEMBL6561838 0.92 F10 (0.36) F10PRSS1ACACBRAB9ATPSAB1
SCHEMBL6563668 0.90 TPSAB1 (0.38) F10PRSS1ACACBRAB9ATPSAB1
SCHEMBL6565323 0.89 F7 (0.38) F10PRSS1ACACBF7F3
SCHEMBL6565093 0.86 ACACB (0.35) F10ACACBRAB9AITGB3ITGA2B
SCHEMBL6561958 0.86 ACACB (0.49) F10PRSS1ACACBF7F3
SCHEMBL7806159 0.85 ALDH1A1 (0.36) ACACBRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6562445 0.84 F10 (0.40) F10PRSS1ACACBF7F3
SCHEMBL6565233 0.83 ACACB (0.39) F10PRSS1ACACBF7F3
SCHEMBL7670689 0.83 F10 (0.39) F10PRSS1ACACBTPSAB1TPSD1

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
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
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