SCHEMBL8752939

SCHEMBL8752939

CC1C[C@@H](c2ncc(Br)[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL6126856 1.00 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL15396052 1.00 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL6126858 1.00 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL12531099 0.88 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL1914159 0.87 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL15898208 0.87 CFD (0.38) HPGDSGPR119PARP1UCHL1HSD11B1
SCHEMBL14848753 0.87 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL1914160 0.87 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL15586266 0.87 HPGDS (0.36) HPGDSCYP2C9KCNH2GPR119PARP1
SCHEMBL903365 0.87 CFD (0.38) HPGDSGPR119PARP1UCHL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 — — WO disclosed
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