SCHEMBL6962001

SCHEMBL6962001

COc1ccccc1CN(C)C(=O)C(CC=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NPC1 O15118 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CDK8 P49336 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT1 Q99873 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39
HTR2A P28223 2/20 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
SCHEMBL6973686 0.87 MEN1 (0.50) MEN1KMT2ACRHBPCRHR2SLC6A2
SCHEMBL7811346 0.84 HPGD (0.47) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7803017 0.83 KDM4E (0.43) MEN1KMT2AACHECDK8CLK4
SCHEMBL7807793 0.82 TACR1 (0.42) MEN1KMT2ACDK8CLK4CCR2
SCHEMBL7809519 0.82 MEN1 (0.45) MEN1KMT2ABCHEACHETACR3
SCHEMBL7809429 0.78 SIGMAR1 (0.42) MEN1KMT2ACDK8CLK4
SCHEMBL6969737 0.76 ALDH1A1 (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6961996 0.76 MEN1 (0.47) MEN1KMT2ACRHBPCRHR2SLC6A2
SCHEMBL8169993 0.75 TACR1 (0.47) MEN1KMT2ACRHBPCRHR2SLC6A2
SCHEMBL6584594 0.75 TACR1 (0.47) MEN1KMT2ACRHBPCRHR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848706-B1 SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
EP-0848706-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-06-24 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039383-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed