SCHEMBL6563935

SCHEMBL6563935

Cc1cc(C#CCN(C)c2ccc(C#N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
AR P10275 1/20 0.44
FASN P49327 12/20 0.41
SCN9A Q15858 1/20 0.39
POLB P06746 1/20 0.39
OPRK1 P41145 1/20 0.38
PPARG P37231 1/20 0.38
HPGD P15428 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
SCHEMBL5886050 0.90 ACACB (0.45) ACACBARFASNPOLBPPARG
SCHEMBL6562296 0.87 ACACB (0.46) ACACBPPARGHPGD
SCHEMBL5886079 0.81 ACACB (0.46) ACACBARFASNPOLB
SCHEMBL6556808 0.80 ACACB (0.53) ACACBFASNSCN9APOLBHPGD
SCHEMBL5886169 0.80 PPARG (0.38) ACACBFASNPOLBPPARG
SCHEMBL5885319 0.80 ACACB (0.43) ACACBPPARGHPGD
Hydrochloric Acid SCHEMBL5886010 0.79 ACACB (0.42) ACACBPPARGHPGD
SCHEMBL5885873 0.78 ACACB (0.57) ACACBHPGD
SCHEMBL5886153 0.78 AR (0.48) ACACBAR
SCHEMBL6563753 0.77 ACACB (0.56) 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 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