SCHEMBL7304783

SCHEMBL7304783

C=CC[C@@H]1C[C@@H](CNC(=O)c2ccc(CCC(=O)OC(C)(C)C)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CHRM4 P08173 1/20 0.36
FAAH O00519 3/20 0.36
MGLL Q99685 1/20 0.36
LMNA P02545 4/20 0.35
HPGD P15428 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL7273654 0.91 SIGMAR1 (0.44) SIGMAR1OPRM1OPRD1CHRM4FAAH
SCHEMBL7280539 0.84 SIGMAR1 (0.44) SIGMAR1FAAHDRD2DRD3
SCHEMBL7275568 0.84 SIGMAR1 (0.46) SIGMAR1DRD2ALDH1A1DRD3CHRNB4
SCHEMBL7281972 0.83 SIGMAR1 (0.43) SIGMAR1FAAHMGLLLMNAHDAC3
SCHEMBL7272709 0.83 SIGMAR1 (0.38) SIGMAR1OPRM1DRD2DRD3NR1H2
SCHEMBL7276136 0.83 SIGMAR1 (0.40) SIGMAR1OPRM1KDM4EPKMDRD2
SCHEMBL7283282 0.82 KDM4E (0.41) SIGMAR1KDM4EPKMDRD2NR1H2
SCHEMBL7275535 0.82 CCR3 (0.43) SIGMAR1OPRM1OPRD1CHRM4LMNA
SCHEMBL7282148 0.81 SIGMAR1 (0.43) SIGMAR1FAAHMGLLLMNAHDAC3
SCHEMBL7274528 0.81 SIGMAR1 (0.45) SIGMAR1OPRM1OPRD1KDM4EPKM

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed