SCHEMBL7476632

SCHEMBL7476632

CN1CCc2ccc(N3CCN(C4CCC(N(CC(=O)O)C(=O)C5CCCC5)CC4)C3=O)cc2CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.36
F2 P00734 5/20 0.36
OPRM1 P35372 2/20 0.34
PRSS1 P07477 3/20 0.34
CYP17A1 P05093 1/20 0.33
KHK P50053 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL7476624 1.00 F10 (0.36) F10F2OPRM1PRSS1CYP17A1
SCHEMBL7478466 0.96 F10 (0.37) F10F2OPRM1PRSS1CYP17A1
SCHEMBL7478455 0.96 F10 (0.37) F10F2OPRM1PRSS1CYP17A1
Hydrochloric Acid SCHEMBL7475209 0.86 KDM4E (0.38) F10F2PRSS1CYP17A1KHK
Hydrochloric Acid SCHEMBL7480546 0.85 F10 (0.38) F10F2PRSS1CYP17A1KHK
SCHEMBL7467625 0.82 F10 (0.37) F10F2PRSS1KHKHRH3
SCHEMBL7465362 0.80 F10 (0.37) F10F2PRSS1CYP17A1KHK
Hydrochloric Acid SCHEMBL7559934 0.80 F2 (0.34) F10F2PRSS1CYP17A1KHK
SCHEMBL7479561 0.80 RORC (0.39) F10F2PRSS1KHK
SCHEMBL7478805 0.80 F10 (0.35) F10F2PRSS1CYP17A1KHK

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