SCHEMBL6563701

SCHEMBL6563701

Cc1cc(C#CCNC2CCC(N)CC2)ccc1C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.38
PIK3CA P42336 6/20 0.37
MTOR P42345 6/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FASN P49327 2/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6563697 1.00 ACACB (0.50) ACACBL3MBTL3L3MBTL1HPGDPIK3CA
SCHEMBL5885873 0.78 ACACB (0.57) ACACBL3MBTL3L3MBTL1HPGDHTT
SCHEMBL6563753 0.77 ACACB (0.56) ACACBL3MBTL3L3MBTL1HPGDPIK3CA
SCHEMBL5885712 0.75 ACACB (0.54) ACACBL3MBTL3L3MBTL1HPGDHTT
SCHEMBL6563806 0.74 ACACB (0.52) ACACBHPGDPIK3CAMTORHTT
SCHEMBL6561958 0.74 ACACB (0.49) ACACBHPGDKMT2A
SCHEMBL5885759 0.71 ACACB (0.48) ACACBHPGDFASNHTT
SCHEMBL5885749 0.71 ACACB (0.48) ACACB
SCHEMBL5885702 0.71 ACACB (0.46) ACACBHPGDHTTKMT2A
SCHEMBL5885818 0.71 ACACB (0.46) ACACBHPGDHTT

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