SCHEMBL6563234

SCHEMBL6563234

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.46
HPGD P15428 2/20 0.43
GRM5 P41594 10/20 0.41
FASN P49327 3/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL6563683 0.86 DPP7 (0.49) ACACBFASNDPP7
SCHEMBL6561958 0.85 ACACB (0.49) ACACBHPGD
SCHEMBL5885818 0.82 ACACB (0.46) ACACBHPGD
SCHEMBL5885702 0.82 ACACB (0.46) ACACBHPGD
Hydrochloric Acid SCHEMBL5886024 0.81 ACACB (0.46) ACACBHPGD
Hydrochloric Acid SCHEMBL5885902 0.81 ACACB (0.46) ACACBHPGD
SCHEMBL6561944 0.77 F10 (0.43) ACACBHPGDPIK3CAMTOR
SCHEMBL6565351 0.77 F10 (0.44) ACACB
SCHEMBL6563806 0.76 ACACB (0.52) ACACBHPGDPIK3CAMTOR
SCHEMBL6562296 0.76 ACACB (0.46) ACACBHPGD

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