SCHEMBL7470084

SCHEMBL7470084

CN1CC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)Cc2ccc(O)cc2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CCR5 P51681 1/20 0.50
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
CCR3 P51677 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL7455496 0.95 OPRM1 (0.58) OPRM1KDM4ELMNAGAACCR5
SCHEMBL7465426 0.89 SLC6A2 (0.49) OPRM1KDM4ELMNAGAACCR5
SCHEMBL7465552 0.84 NPSR1 (0.49) OPRM1KDM4ELMNAGAACCR5
Hydrochloric Acid SCHEMBL7465772 0.83 CCR5 (0.70) OPRM1CCR5
SCHEMBL7517595 0.81 CCR5 (0.51) OPRM1CCR5ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7463538 0.80 CCR5 (0.56) OPRM1KDM4ECCR5
Hydrochloric Acid SCHEMBL7470211 0.80 CCR5 (0.63) OPRM1CCR5
Hydrochloric Acid SCHEMBL7453187 0.80 CCR5 (0.63) OPRM1CCR5
Hydrochloric Acid SCHEMBL7454310 0.79 CCR5 (0.55) OPRM1CCR5
Hydrochloric Acid SCHEMBL7465744 0.79 CCR5 (0.62) OPRM1CCR5CCR3

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-1180513-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed