SCHEMBL25757726

SCHEMBL25757726

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C#N)cs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.51
CXCR3 P49682 4/20 0.51
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL8513975 0.85 CCR1 (0.54) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL1758544 0.85 CCR1 (0.53) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL8513972 0.84 CCR1 (0.52) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL25757623 0.83 GAA (0.48) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL28799628 0.83 CCR1 (0.50) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL1758546 0.83 CCR1 (0.54) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL27863436 0.82 CCR1 (0.53) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL2579871 0.81 CCR1 (0.52) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL27879754 0.81 CCR1 (0.52) CCR1CXCR3GAAKDM4ELMNA
SCHEMBL25757907 0.81 CCR1 (0.50) CCR1CXCR3GAAKDM4ELMNA

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-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed