SCHEMBL13376367

SCHEMBL13376367

CC(CO)NC(=O)c1cccc(C#CCCCN)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
HPGD P15428 1/20 0.42
MAP4K4 O95819 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2763155 0.91 ACACB (0.48) ACACBHPGDMAP4K4ATM
SCHEMBL13302481 0.88 ACACB (0.47) ACACBHPGDMAP4K4ATM
SCHEMBL2763802 0.88 ACACB (0.49) ACACBHPGDATM
SCHEMBL2623651 0.87 ACACB (0.46) ACACBHPGDMAP4K4ATM
SCHEMBL13302477 0.86 ACACB (0.45) ACACBHPGDMAP4K4ATM
SCHEMBL2763110 0.85 ACACB (0.45) ACACBHPGDMAP4K4ATM
SCHEMBL2763285 0.85 ACACB (0.44) ACACBHPGDMAP4K4ATM
SCHEMBL13302479 0.85 ACACB (0.47) ACACBHPGDMAP4K4ATM
SCHEMBL2623650 0.84 ACACB (0.44) ACACBHPGDMAP4K4ATM
SCHEMBL20810355 0.84 ACACB (0.41) 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-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
EP-1745011-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2009-09-30 EP disclosed