SCHEMBL6563806

SCHEMBL6563806

Cc1cc(C#CCNc2ccncc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
MTOR P42345 8/20 0.40
PIK3CA P42336 7/20 0.40
HPGD P15428 1/20 0.39
NAMPT P43490 2/20 0.39
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
GRIN2B Q13224 1/20 0.37
CYP46A1 Q9Y6A2 2/20 0.36
F10 P00742 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 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
SCHEMBL6561958 0.84 ACACB (0.49) ACACBHPGDF10MEN1KMT2A
SCHEMBL5885749 0.81 ACACB (0.48) ACACBCYP2C9
SCHEMBL5885873 0.80 ACACB (0.57) ACACBHPGDHTTMEN1KMT2A
SCHEMBL5885702 0.79 ACACB (0.46) ACACBHPGDHTTF10KMT2A
SCHEMBL6563753 0.79 ACACB (0.56) ACACBMTORPIK3CAHPGDHTT
SCHEMBL6563683 0.79 DPP7 (0.49) ACACB
Hydrochloric Acid SCHEMBL5886024 0.78 ACACB (0.46) ACACBHPGDHTTF10KMT2A
SCHEMBL6565533 0.77 ACACB (0.45) ACACBF10MEN1KMT2A
SCHEMBL5885759 0.77 ACACB (0.48) ACACBHPGDHTTPOLB
SCHEMBL5885712 0.77 ACACB (0.54) ACACBHPGDHTTMEN1KMT2A

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