SCHEMBL25184672

SCHEMBL25184672

CC(C)(C)OC(=O)N1CCC2C1CCN2C(=O)CNC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.43
▸ DDR1 Q08345 1/20 0.41
▸ SYK P43405 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ GLS O94925 4/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ RAF1 P04049 4/20 0.38
▸ BRAF P15056 4/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ DHODH Q02127 2/20 0.37

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
SCHEMBL25190893 0.83 CCR2 (0.49) —
SCHEMBL30407017 0.83 CCR2 (0.49) —
SCHEMBL25202249 0.81 CCR2 (0.48) FAP
SCHEMBL30406700 0.81 CCR2 (0.48) FAP
SCHEMBL25199498 0.80 ACKR3 (0.46) ACKR3
SCHEMBL25184669 0.79 TRPA1 (0.40) ACKR3DDR1TRPA1FAPGLS
Hydrochloric Acid SCHEMBL25191497 0.79 TRPA1 (0.40) ACKR3DDR1TRPA1FAPGLS
SCHEMBL25202245 0.78 DDR1 (0.52) ACKR3DDR1TRPA1GLSRAF1
SCHEMBL25221229 0.74 CCR2 (0.42) —
SCHEMBL25552436 0.71 DDR1 (0.52) ACKR3DDR1TRPA1GLSRAF1

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