SCHEMBL7465362

SCHEMBL7465362

CN1CCc2ccc(N3CCN([C@H]4CC[C@H](N(C)C(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
F2 P00734 4/20 0.37
KHK P50053 6/20 0.37
CYP17A1 P05093 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
USP30 Q70CQ3 1/20 0.33
PRSS1 P07477 2/20 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
Hydrochloric Acid SCHEMBL7480546 0.85 F10 (0.38) F10F2KHKCYP17A1HRH3
Hydrochloric Acid SCHEMBL7475209 0.82 KDM4E (0.38) F10F2KHKCYP17A1HRH3
SCHEMBL7467625 0.82 F10 (0.37) F10F2KHKHRH3PRSS1
SCHEMBL7478466 0.82 F10 (0.37) F10F2KHKCYP17A1HRH3
SCHEMBL7478455 0.82 F10 (0.37) F10F2KHKCYP17A1HRH3
SCHEMBL7465375 0.82 F10 (0.38) F10F2KHKCYP17A1HRH3
SCHEMBL7465369 0.82 F10 (0.38) F10F2KHKCYP17A1HRH3
SCHEMBL8561622 0.80 F2 (0.39) F10F2KHKCYP17A1HRH3
SCHEMBL8562349 0.80 F2 (0.39) F10F2KHKCYP17A1HRH3
SCHEMBL8561618 0.80 F2 (0.39) F10F2KHKCYP17A1HRH3

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