SCHEMBL12780144

SCHEMBL12780144

COc1ccccc1OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.46
▸ HTR1A P08908 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ STAT6 P42226 4/20 0.41
▸ LIPE Q05469 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TACR1 P25103 1/20 0.40

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
SCHEMBL12336180 0.85 ELANE (0.46) ELANEHTR1AHTR7CYP3A4CYP2C9
SCHEMBL8274139 0.79 ELANE (0.40) ELANESTAT6
SCHEMBL8133784 0.79 ELANE (0.40) ELANESTAT6
SCHEMBL13960895 0.79 ELANE (0.40) ELANESTAT6
SCHEMBL806180 0.79 ELANE (0.42) ELANE
SCHEMBL8055611 0.79 ELANE (0.42) ELANE
SCHEMBL14232792 0.79 ELANE (0.42) ELANE
SCHEMBL8145204 0.78 ELANE (0.43) ELANESTAT6XIAP
SCHEMBL17188760 0.78 UCHL1 (0.46) ELANEHTR1AHTR7
SCHEMBL7943694 0.77 ELANE (0.46) ELANESTAT6KCNH2

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
EP-1505963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-20 — — EP disclosed
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