SCHEMBL7469775

SCHEMBL7469775

CC(C)(C)OC(=O)CN(Cc1ccccc1)[C@H]1CC[C@H](N2CCN(c3ccc4c(c3)CCN(C(=O)C(F)(F)F)CC4)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
F2 P00734 6/20 0.37
USP30 Q70CQ3 2/20 0.37
PRSS1 P07477 2/20 0.35
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
KHK P50053 4/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 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
SCHEMBL7476598 0.87 USP30 (0.38) F10F2USP30PRSS1KHK
SCHEMBL7478435 0.79 F10 (0.42) F10F2PRSS1
SCHEMBL7478447 0.79 F10 (0.42) F10F2PRSS1
SCHEMBL7470577 0.77 KHK (0.43) F10F2PRSS1KHKHTR2C
SCHEMBL7470587 0.77 KHK (0.43) F10F2PRSS1KHKHTR2C
SCHEMBL7423483 0.76 ESR1 (0.42) F10F2USP30PRSS1ESR1
SCHEMBL8567424 0.75 ESR1 (0.40) F10F2USP30PRSS1KHK
SCHEMBL8567428 0.75 ESR1 (0.40) F10F2USP30PRSS1KHK
SCHEMBL7419973 0.75 ESR1 (0.39) F10F2USP30PRSS1ESR1
SCHEMBL7419971 0.75 ESR1 (0.39) F10F2USP30PRSS1ESR1

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