SCHEMBL876130

SCHEMBL876130

CN(C(=O)c1ccc2c(c1)C(N1C=C(C(=O)O)C=NC1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
JAK2 O60674 4/20 0.35
JAK1 P23458 4/20 0.35
CCR5 P51681 1/20 0.35
F10 P00742 3/20 0.34
MCHR1 Q99705 1/20 0.34
SLC2A1 P11166 1/20 0.33
KDM4C Q9H3R0 3/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM6B O15054 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL878507 0.95 CCR5 (0.35) POLBJAK2JAK1CCR5F10
SCHEMBL875757 0.89 CCR5 (0.35) POLBJAK2JAK1CCR5F10
SCHEMBL876171 0.86 ALDH1A1 (0.36) POLBJAK2JAK1CCR5F10
SCHEMBL876267 0.85 F10 (0.36) POLBJAK2JAK1CCR5F10
SCHEMBL876498 0.79 SLC2A1 (0.38) POLBJAK2JAK1CCR5F10
SCHEMBL784878 0.79 ACHE (0.43) POLBJAK2JAK1CCR5F10
SCHEMBL876131 0.78 POLB (0.34) POLBJAK2JAK1CCR5F10
SCHEMBL876499 0.77 SLC2A1 (0.35) POLBJAK2JAK1CCR5F10
SCHEMBL876714 0.77 CCR5 (0.38) POLBJAK2JAK1CCR5F10
SCHEMBL878283 0.76 BDKRB1 (0.40) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP claimed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO claimed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed