SCHEMBL7478466

SCHEMBL7478466

CN1CCc2ccc(N3CCN(C4CCC(N(CC(=O)O)C(=O)C5CC5)CC4)C3=O)cc2CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.37
F2 P00734 5/20 0.37
KHK P50053 4/20 0.33
PRSS1 P07477 3/20 0.33
OPRM1 P35372 1/20 0.32
CYP17A1 P05093 1/20 0.32
PKM P14618 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL7478455 1.00 F10 (0.37) F10F2KHKPRSS1OPRM1
SCHEMBL7476624 0.96 F10 (0.36) F10F2KHKPRSS1OPRM1
SCHEMBL7476632 0.96 F10 (0.36) F10F2KHKPRSS1OPRM1
Hydrochloric Acid SCHEMBL7480546 0.87 F10 (0.38) F10F2KHKPRSS1CYP17A1
Hydrochloric Acid SCHEMBL7475209 0.84 KDM4E (0.38) F10F2KHKPRSS1CYP17A1
SCHEMBL7467625 0.84 F10 (0.37) F10F2KHKPRSS1HRH3
SCHEMBL7465362 0.82 F10 (0.37) F10F2KHKPRSS1CYP17A1
SCHEMBL7479561 0.81 RORC (0.39) F10F2KHKPRSS1
Hydrochloric Acid SCHEMBL7559934 0.81 F2 (0.34) F10F2KHKPRSS1CYP17A1
SCHEMBL7481467 0.81 F10 (0.35) F10F2KHKPRSS1CYP17A1

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