SCHEMBL7654945

SCHEMBL7654945

COC(=O)C1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
HCRTR2 O43614 1/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 2/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UCHL1 P09936 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
TACR1 P25103 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL22805991 0.93 SLC6A2 (0.47) RIPK1HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL17922881 0.89 RIPK1 (0.51) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL17922922 0.87 MEN1 (0.51) RIPK1HCRTR2MEN1KMT2AKLK7
SCHEMBL9025059 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL9023721 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL5784217 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL9024840 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL8121365 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL8125588 0.83 RIPK1 (0.52) RIPK1HCRTR2NPC1MEN1KMT2A
SCHEMBL9294807 0.82 RIPK1 (0.47) RIPK1HCRTR2NPC1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372754-B1 DRUGS FOR TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS OR POSTHERPIC NEURALGIA. MERCK SHARP & DOHME LTD. 2002-04-16 US disclosed