SCHEMBL4719084

SCHEMBL4719084

COc1ccc(Br)c(CN(CCCO)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
KDM4E B2RXH2 7/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 6/20 0.36
HPGD P15428 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA14 Q9ULX7 1/20 0.36
HDAC1 Q13547 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL4715109 0.85 SSTR4 (0.52) SSTR4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4718059 0.84 SSTR4 (0.50) SSTR4LMNATSHRHSD17B10L3MBTL1
SCHEMBL6419488 0.83 KDM4E (0.48) KDM4ETSHRALDH1A1HPGDL3MBTL1
SCHEMBL6418683 0.82 SSTR4 (0.39) SSTR4LMNAALDH1A1HSD17B10HPGD
SCHEMBL12282460 0.82 MEN1 (0.43) SSTR4KDM4ELMNATSHRALDH1A1
SCHEMBL30574610 0.82 L3MBTL1 (0.46) SSTR4TSHRALDH1A1L3MBTL1CA14
SCHEMBL4717219 0.81 SSTR4 (0.38) SSTR4KDM4ELMNATSHRRECQL
SCHEMBL6419451 0.81 ALDH1A1 (0.43) SSTR4ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4718013 0.81 SSTR4 (0.43) SSTR4LMNAALDH1A1HPGDCA14
SCHEMBL2048346 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDHDAC1MTNR1A

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