SCHEMBL6563505

SCHEMBL6563505

Cc1cc(C#CC(C)Nc2ccc(C#N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
FASN P49327 14/20 0.41
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL5885699 0.90 ACACB (0.50) ACACB
SCHEMBL6563427 0.87 ACACB (0.49) ACACBHPGD
SCHEMBL6564460 0.87 ACACB (0.51) ACACBHPGDF10
SCHEMBL6556808 0.81 ACACB (0.53) ACACBFASNPOLBHPGD
SCHEMBL5885506 0.79 ACACB (0.48) ACACBHPGDF10
SCHEMBL6571802 0.79 FASN (0.43) ACACBFASNPOLBHPGD
SCHEMBL5885709 0.79 ACACB (0.60) ACACBHPGD
Hydrochloric Acid SCHEMBL5885815 0.79 ACACB (0.47) ACACBHPGDF10
SCHEMBL5885715 0.78 ACACB (0.59) ACACBHPGD
SCHEMBL5886160 0.75 ACACB (0.51) 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