SCHEMBL4752929

SCHEMBL4752929

COc1cccc(OCCC2CN(C(=O)O)CCN2)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
LMNA P02545 1/20 0.38
BTK Q06187 2/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
USP30 Q70CQ3 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
REN P00797 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4290277 1.00 CCR3 (0.39) CCR3LMNABTKGRIN1GRIN2B
Hydrochloric Acid SCHEMBL4290984 0.90 SCN9A (0.38) CCR3GRIN1GRIN2BRENSCN9A
SCHEMBL4753485 0.89 MEN1 (0.38) CCR3LMNARENCA1CA2
SCHEMBL4292768 0.89 MEN1 (0.38) CCR3LMNARENCA1CA2
SCHEMBL4282069 0.89 ALDH1A1 (0.39) LMNARENSCN9A
Hydrochloric Acid SCHEMBL4289621 0.89 LMNA (0.48) LMNACHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL4292929 0.86 HPGD (0.38) CCR3DRD2DRD3
Hydrochloric Acid SCHEMBL4290259 0.86 HTR2C (0.40) CCR3LMNACHRNB4CHRNA3
SCHEMBL13705337 0.86 PTGDR2 (0.44)
Hydrochloric Acid SCHEMBL4281883 0.84 NPC1 (0.43) CA1CA2CA4CA9

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed