SCHEMBL8464221

SCHEMBL8464221

CCC(CC(=O)O)N1c2ccccc2N(COC)c2nccnc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FFAR1 O14842 3/20 0.32
TNF P01375 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
MMP14 P50281 1/20 0.30
MMP15 P51511 1/20 0.30
MMP16 P51512 1/20 0.30
MMP26 Q9NRE1 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL6749056 0.79 CA12 (0.38) LMNA
SCHEMBL7140092 0.68 MTNR1A (0.39) BCHE
SCHEMBL6749065 0.68 NPC1 (0.33) LMNA
SCHEMBL6747496 0.67 TP53 (0.33) LMNA
SCHEMBL6749339 0.67 FFAR1 (0.41) LMNAPDE4AFFAR1
SCHEMBL6749047 0.66 HTR2A (0.42)
SCHEMBL11685677 0.63 TNF (0.52) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL6750211 0.62 HDAC6 (0.36)
SCHEMBL5484265 0.62 LMNA (0.42) LMNABCHE
SCHEMBL11473821 0.59 POLB (0.36) MMP2MMP9MMP12MMP14MMP15

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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed