SCHEMBL4715979

SCHEMBL4715979

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
KDM1A O60341 2/20 0.35
SLC6A4 P31645 8/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
SNCA P37840 2/20 0.33
SLC6A2 P23975 6/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
NR3C1 P04150 1/20 0.31
PKM P14618 1/20 0.31
SLC1A5 Q15758 1/20 0.31
SLC6A3 Q01959 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 1.00 SSTR4 (0.43) SSTR4KDM1ASLC6A4HTR2CHTR2A
SCHEMBL7428367 0.96 SSTR4 (0.40) SSTR4KDM1ASLC6A4HTR2CHTR2A
SCHEMBL4716445 0.88 SSTR4 (0.39) SSTR4GPR52
SCHEMBL4716435 0.88 SSTR4 (0.39) SSTR4GPR52
SCHEMBL4719975 0.87 GPR52 (0.41) SSTR4RIPK1GPR52
SCHEMBL4719978 0.87 GPR52 (0.41) SSTR4RIPK1GPR52
SCHEMBL4717219 0.86 SSTR4 (0.38) SSTR4SLC6A4HTR2CHTR2ASLC6A2
SCHEMBL4762111 0.84 ITGA4 (0.39) SSTR4
SCHEMBL4715109 0.81 SSTR4 (0.52) SSTR4SLC6A4HTR2CHTR2AHDAC6
SCHEMBL7385502 0.77 SSTR4 (0.47) SSTR4SLC6A4HTR2CHTR2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed
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