SCHEMBL6565323

SCHEMBL6565323

N=C(N)c1ccc(NCC#Cc2ccc(C(=O)N3CCCC3)c(CC(=O)O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
F10 P00742 11/20 0.38
PRSS1 P07477 5/20 0.38
ACACB O00763 1/20 0.38
F2 P00734 5/20 0.38
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PLG P00747 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL6562445 0.91 F10 (0.40) F7F3F10PRSS1ACACB
SCHEMBL6565233 0.91 ACACB (0.39) F7F3F10PRSS1ACACB
SCHEMBL6561849 0.89 F10 (0.37) F7F3F10PRSS1ACACB
SCHEMBL7670689 0.89 F10 (0.39) F7F3F10PRSS1ACACB
SCHEMBL6561958 0.88 ACACB (0.49) F7F3F10PRSS1ACACB
SCHEMBL6565351 0.87 F10 (0.44) F7F3F10PRSS1ACACB
SCHEMBL6563220 0.85 HPGD (0.44) F10PRSS1ACACBHPGD
SCHEMBL6563778 0.84 F10 (0.36) F7F3F10PRSS1ACACB
SCHEMBL6563597 0.84 F10 (0.38) F7F3F10PRSS1ACACB
SCHEMBL6561838 0.84 F10 (0.36) F10PRSS1ACACBF2ITGB3

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