SCHEMBL6964169

SCHEMBL6964169

COC(=O)NNCC(=N)Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL27596076 0.75 EGLN1 (0.43) GLAALDH1A1TDP1
SCHEMBL536155 0.69
SCHEMBL402057 0.68 GAA (0.50) ALDH1A1
SCHEMBL4024779 0.67 ATM (0.38) GLAALDH1A1TDP1ATM
SCHEMBL7784530 0.66 ALDH1A1 (0.47) GLAALDH1A1TDP1ATM
SCHEMBL10876978 0.66
SCHEMBL8698181 0.65
SCHEMBL2776894 0.65
SCHEMBL2776392 0.64 CYP2D6 (0.41) ALDH1A1TDP1
SCHEMBL20523440 0.63 LMNA (0.38) ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817305-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT PIRAMAL ENTPR LTD (IN) 2016-09-28 EP claimed
EP-2817305-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2014-12-31 EP claimed
WO-2013124823-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2013-08-29 WO claimed
EP-2817305-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2014-12-31 EP disclosed
WO-2013124823-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT Piramal Enterprises Limited (IN) 2013-08-29 WO disclosed
EP-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed