SCHEMBL29953567

SCHEMBL29953567

Cc1c(B(O)O)ccnc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CA2 P00918 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
UHRF1 Q96T88 1/20 0.30

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
SCHEMBL539587 0.79 CCR1 (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29953880 0.79 CCR1 (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29957947 0.77 KDM4E (0.31) CCR1CCR5CCR8
SCHEMBL29956403 0.76 FFAR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL18921698 0.76 FFAR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL29951106 0.76 ENPP2 (0.30)
SCHEMBL29911669 0.76 FFAR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL19549878 0.76 FFAR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL1181840 0.76 NOS2 (0.56) CCR1CCR5CCR8NOS3NOS2
SCHEMBL111571 0.73

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed