SCHEMBL7478447

SCHEMBL7478447

O=C1N(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)CCN1C1CCC(NCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.42
F2 P00734 9/20 0.42
GRIN2B Q13224 3/20 0.41
PRSS1 P07477 4/20 0.39
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
BACE1 P56817 3/20 0.37
DRD4 P21917 1/20 0.37
AR P10275 1/20 0.35

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
SCHEMBL7478435 1.00 F10 (0.42) F10F2GRIN2BPRSS1BCHE
SCHEMBL7419973 0.85 ESR1 (0.39) F10F2PRSS1
SCHEMBL7419971 0.85 ESR1 (0.39) F10F2PRSS1
SCHEMBL7423483 0.83 ESR1 (0.42) F10F2PRSS1
SCHEMBL7469775 0.79 F10 (0.37) F10F2PRSS1
SCHEMBL8567428 0.79 ESR1 (0.40) F10F2PRSS1
SCHEMBL8567424 0.79 ESR1 (0.40) F10F2PRSS1
SCHEMBL7465375 0.76 F10 (0.38) F10F2PRSS1
SCHEMBL7465369 0.76 F10 (0.38) F10F2PRSS1
SCHEMBL8568710 0.74 F10 (0.39) F10F2PRSS1

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