SCHEMBL29092922

SCHEMBL29092922

Cc1ccnc2c1ccc1c(C)ccnc12.[Cu]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.95
CCR8 P51685 5/20 0.95
CCR5 P51681 4/20 0.95
L3MBTL1 Q9Y468 3/20 0.67
PSMD14 O00487 2/20 0.57
COPS5 Q92905 2/20 0.57
HTT P42858 2/20 0.47
SLC6A2 P23975 1/20 0.47
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
NOS3 P29474 3/20 0.41
NOS2 P35228 3/20 0.41
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30603076 1.00 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL29563986 0.97 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL182930 0.97 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL23777914 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL31493927 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL30753482 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
Water SCHEMBL23927104 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL6744043 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL4890980 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL28568141 0.95 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14

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
CN-116713021-A Method for preparing sub-nano-scale copper catalyst by combining coordination complexing and space limitation 云南师范大学 2023-09-08 CN disclosed