SCHEMBL25202249

SCHEMBL25202249

CC(C)(C)OC(=O)N1CCCC2C1CCN2C(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 16/20 0.48
▸ PREP P48147 2/20 0.47
▸ DPP4 P27487 1/20 0.45
▸ FAP Q12884 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL30406700 1.00 CCR2 (0.48) CCR2PREPDPP4FAPTAS1R3
SCHEMBL30407017 0.97 CCR2 (0.49) CCR2ALDH1A1POLB
SCHEMBL25190893 0.97 CCR2 (0.49) CCR2ALDH1A1POLB
SCHEMBL25221229 0.86 CCR2 (0.42) CCR2
SCHEMBL6358011 0.85 CCR2 (0.49) CCR2PREPDPP4TAS1R3TAS1R1
SCHEMBL18544383 0.81 CCR2 (0.55) CCR2PREPTAS1R3TAS1R1TAS1R2
SCHEMBL18544775 0.81 CCR2 (0.52) CCR2PREPDPP4FAPALDH1A1
SCHEMBL25184672 0.81 ACKR3 (0.43) FAP
SCHEMBL25548080 0.80 CCR2 (0.48) CCR2
SCHEMBL25199498 0.80 ACKR3 (0.46) —

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-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
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