SCHEMBL3814662

SCHEMBL3814662

CC(C)(C)OC(=O)ON1CCC(N(C(=O)c2ccc(Cl)cc2Cl)c2cc(-c3ccccc3)sc2C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPY1R P25929 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 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
SCHEMBL3811287 0.95 MEN1 (0.34) MEN1KMT2ANPY1RUSP30
SCHEMBL3814854 0.95 MEN1 (0.39) MEN1KMT2ANPY1RUSP30GPR119
SCHEMBL3808918 0.93 MEN1 (0.37) MEN1KMT2ANPY1RUSP30GPR119
SCHEMBL6426599 0.88 USP30 (0.47) MEN1KMT2AUSP30MCHR1GPR119
SCHEMBL2158008 0.86 MEN1 (0.52) MEN1KMT2AUSP30GPR119
SCHEMBL6431276 0.85 ACKR3 (0.43) MEN1KMT2AUSP30GPR119
SCHEMBL6429324 0.83 MEN1 (0.49) MEN1KMT2AUSP30GPR119
SCHEMBL2158478 0.82 MCHR1 (0.39) NPY1RMCHR1
SCHEMBL2157663 0.82 OPRM1 (0.41) NPY1RMCHR1
SCHEMBL2157808 0.81 CYP1A2 (0.39) —

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
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