SCHEMBL25172425

SCHEMBL25172425

CCc1ccc(N2CCC(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.60
PDK2 Q15119 1/20 0.49
SERPINE1 P05121 3/20 0.48
S1PR1 P21453 2/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL4412651 0.84 NOTUM (0.63) NOTUMPDK2SERPINE1S1PR1
SCHEMBL14332344 0.80 NOTUM (0.47) NOTUMPDK2
SCHEMBL5724958 0.80 NOTUM (0.60) NOTUM
SCHEMBL1817248 0.80 NOTUM (0.60) NOTUMPDK2SERPINE1S1PR1
SCHEMBL12875602 0.79 AR (0.48) NOTUMPDK2
SCHEMBL25209622 0.79 NOTUM (0.59) NOTUMPDK2SERPINE1
SCHEMBL12875600 0.77 MGLL (0.44) NOTUMPDK2HSD11B1
SCHEMBL2071701 0.75 NOTUM (0.83) NOTUMPDK2SERPINE1
SCHEMBL6204089 0.75 ALDH1A1 (0.61) NOTUMS1PR1
SCHEMBL11888878 0.74 KDM4E (0.50) NOTUMSERPINE1

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-2023081661-A1 BICYCLIC DERIVATIVES AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed