SCHEMBL2870829

SCHEMBL2870829

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCN(C=O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
USP30 Q70CQ3 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
NR1I2 O75469 2/20 0.32
CNR2 P34972 1/20 0.32
GAA P10253 1/20 0.32
OPRD1 P41143 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
SCHEMBL3807589 0.90 MKNK1 (0.39) OPRM1KDM4EHTTATMUSP30
SCHEMBL2874221 0.89 KDM4E (0.37) OPRM1KDM4EHTTATMUSP30
SCHEMBL2880159 0.88 OPRM1 (0.36) OPRM1KDM4EHTTATMUSP30
SCHEMBL2873363 0.88 GAA (0.35) OPRM1KDM4EHTTATMUSP30
SCHEMBL2877284 0.88 OPRM1 (0.41) OPRM1CHRM2CHRM3NR1I2OPRD1
SCHEMBL2870827 0.88 NR1I2 (0.41) OPRM1KDM4EHTTATMCHRM2
SCHEMBL2874208 0.87 KDM4E (0.38) OPRM1KDM4EHTTATMUSP30
SCHEMBL2874240 0.87 KDM4E (0.38) OPRM1KDM4EHTTATMUSP30
SCHEMBL2877206 0.87 KDM4E (0.38) OPRM1KDM4EHTTATMUSP30
SCHEMBL3809138 0.87 OPRM1 (0.38) OPRM1KDM4EHTTATMCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed