SCHEMBL27560880

SCHEMBL27560880

Cc1cccc(CN2CCC(C(N)C(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)c1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.38
DRD4 P21917 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4844505 0.84 CCR2 (0.50) CCR2KMT2AMEN1
SCHEMBL27558620 0.83 CCR2 (0.51) CCR2KMT2AALDH1A1
SCHEMBL27560885 0.80 CCR2 (0.42) CCR2KMT2AALDH1A1
SCHEMBL4845872 0.78 CCR2 (0.51) CCR2KMT2AMEN1ALDH1A1
SCHEMBL6205458 0.78 CCR2 (0.53) CCR2DRD4ALDH1A1ACHE
SCHEMBL4842990 0.78 CCR2 (0.41) CCR2KMT2AALDH1A1
SCHEMBL27579111 0.77 EGFR (0.42) CCR2KMT2AMEN1ALDH1A1
SCHEMBL28747138 0.76 CCR2 (0.54) CCR2
SCHEMBL6205849 0.69 CCR2 (0.62) CCR2
SCHEMBL4848472 0.69 CCR2 (0.43) CCR2ALDH1A1ACHE

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-1384743-A Remedies or preventives for diseases in association with chemokines TEIJIN LTD (JP) 2002-12-11 CN disclosed