SCHEMBL6563683

SCHEMBL6563683

Cc1cc(C#CCNc2ccc(C#N)cn2)ccc1C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.49
ACACB O00763 1/20 0.48
HCRTR1 O43613 5/20 0.44
FASN P49327 6/20 0.44
DPP4 P27487 5/20 0.43
DPP8 Q6V1X1 1/20 0.43
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL6563234 0.86 ACACB (0.46) DPP7ACACBFASN
SCHEMBL5885749 0.81 ACACB (0.48) ACACB
SCHEMBL5885759 0.81 ACACB (0.48) ACACBFASN
SCHEMBL6563806 0.79 ACACB (0.52) ACACB
SCHEMBL6556808 0.78 ACACB (0.53) ACACBFASN
SCHEMBL5885873 0.76 ACACB (0.57) ACACB
SCHEMBL6563753 0.75 ACACB (0.56) ACACB
SCHEMBL6563935 0.75 ACACB (0.48) ACACBFASN
SCHEMBL5885408 0.74 ACACB (0.46) ACACBHCRTR1
SCHEMBL6561958 0.74 ACACB (0.49) ACACB

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