SCHEMBL7428367

SCHEMBL7428367

CC(C)(C)OC(=O)N(CCC=CC(=O)O)Cc1cc(F)ccc1Br.O=C(Cl)C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
KDM1A O60341 2/20 0.35
SLC6A4 P31645 5/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SNCA P37840 1/20 0.32
SLC6A2 P23975 4/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4715976 0.96 SSTR4 (0.43) SSTR4KDM1ASLC6A4HTR2AHTR2C
SCHEMBL4715979 0.96 SSTR4 (0.43) SSTR4KDM1ASLC6A4HTR2AHTR2C
SCHEMBL4716445 0.85 SSTR4 (0.39) SSTR4
SCHEMBL4716435 0.85 SSTR4 (0.39) SSTR4
SCHEMBL4719975 0.83 GPR52 (0.41) SSTR4RIPK1
SCHEMBL4719978 0.83 GPR52 (0.41) SSTR4RIPK1
SCHEMBL4717219 0.83 SSTR4 (0.38) SSTR4SLC6A4HTR2AHTR2CSLC6A2
SCHEMBL4762111 0.80 ITGA4 (0.39) SSTR4
SCHEMBL4715109 0.78 SSTR4 (0.52) SSTR4SLC6A4HTR2AHTR2CHDAC6
SCHEMBL7385502 0.73 SSTR4 (0.47) SSTR4SLC6A4HTR2AHTR2CHDAC6

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-1216230-A2 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS Amgen Inc. (US) 2002-06-26 EP disclosed
WO-2001023357-A2 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC. (US) 2001-04-05 WO disclosed