SCHEMBL7476598

SCHEMBL7476598

CN(CC(=O)OC(C)(C)C)[C@H]1CC[C@H](N2CCN(c3ccc4c(c3)CCN(C(=O)C(F)(F)F)CC4)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.38
ESR2 Q92731 4/20 0.35
ESR1 P03372 3/20 0.35
NR1H2 P55055 1/20 0.33
F10 P00742 5/20 0.33
F2 P00734 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
KHK P50053 1/20 0.31
LIPE Q05469 1/20 0.31
PRSS1 P07477 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
SCHEMBL7469775 0.87 F10 (0.37) USP30ESR2ESR1F10F2
SCHEMBL7423483 0.80 ESR1 (0.42) USP30ESR2ESR1F10F2
SCHEMBL8567428 0.79 ESR1 (0.40) USP30ESR2ESR1F10F2
SCHEMBL8567424 0.79 ESR1 (0.40) USP30ESR2ESR1F10F2
SCHEMBL7419973 0.79 ESR1 (0.39) USP30ESR2ESR1F10F2
SCHEMBL7419971 0.79 ESR1 (0.39) USP30ESR2ESR1F10F2
SCHEMBL8568710 0.75 F10 (0.39) ESR2ESR1F10F2PRSS1
SCHEMBL8568715 0.75 F10 (0.39) ESR2ESR1F10F2PRSS1
SCHEMBL7476660 0.74 KHK (0.42) F10F2KHK
SCHEMBL7476656 0.74 KHK (0.42) F10F2KHK

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed