SCHEMBL30201542

SCHEMBL30201542

Cc1ccnc2c1ccc1c(C)cc(O)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.64
CCR8 P51685 5/20 0.64
CCR5 P51681 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 5/20 0.43
PSMD14 O00487 2/20 0.43
COPS5 Q92905 2/20 0.43
SLC6A2 P23975 1/20 0.43
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
AGTR1 P30556 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.41
OPRK1 P41145 2/20 0.41
MAPT P10636 5/20 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
SCHEMBL13892943 0.81 CCR1 (0.69) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL29563986 0.80 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL182930 0.80 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL31493927 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL6744043 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
Water SCHEMBL23927104 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL28568141 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL4890980 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL23777914 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT
SCHEMBL30603076 0.78 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1HTT

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
WO-2023008058-A1 FLOW BATTERY SYSTEM EMPLOYING REDOX CONTROL OF CO2 国立研究開発法人産業技術総合研究所 2023-02-02 WO disclosed