Sugi Predict

Sugi Predict / Compounds / SCHEMBL8098170

SCHEMBL8098170

SCHEMBL8098170

NCCCC(NC(=O)C1(C(=O)NCC2Cc3ccccc3C2)CCCC1)OBOC(CCCN)NC(=O)C1(C(=O)NCC2Cc3ccccc3C2)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.32
▸ MTNR1A P48039 3/20 0.31
▸ MTNR1B P49286 3/20 0.31
▸ BCHE P06276 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL8098172 0.93 MME (0.31) MMEMTNR1AMTNR1B
SCHEMBL8098016 0.88 SPHK1 (0.31) BCHE
SCHEMBL8095182 0.82 MMP8 (0.40) MAPT
SCHEMBL8098034 0.82 SPHK1 (0.31) —
SCHEMBL8091668 0.81 MMP8 (0.39) MAPT
SCHEMBL8091564 0.81 CPB2 (0.39) MMELMNA
SCHEMBL8095466 0.80 CYP2C19 (0.39) —
SCHEMBL8090153 0.80 MMP8 (0.40) MAPT
SCHEMBL8098087 0.80 MMP8 (0.44) MME
SCHEMBL8091583 0.78 MC4R (0.39) —

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 — — EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 — — EP disclosed