SCHEMBL7467625

SCHEMBL7467625

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
F2 P00734 5/20 0.37
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
KHK P50053 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRSS1 P07477 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7479561 0.90 RORC (0.39) F10F2ALDH1A1KHKPRSS1
SCHEMBL7476574 0.88 F10 (0.33) F10F2DRD2KHKHRH3
Hydrochloric Acid SCHEMBL7480546 0.87 F10 (0.38) F10F2KHKHRH3PRSS1
Hydrochloric Acid SCHEMBL7475209 0.84 KDM4E (0.38) F10F2DRD2KHKHRH3
SCHEMBL7478466 0.84 F10 (0.37) F10F2KHKHRH3PRSS1
SCHEMBL7478455 0.84 F10 (0.37) F10F2KHKHRH3PRSS1
SCHEMBL7476632 0.82 F10 (0.36) F10F2KHKHRH3PRSS1
SCHEMBL7476624 0.82 F10 (0.36) F10F2KHKHRH3PRSS1
SCHEMBL7465362 0.82 F10 (0.37) F10F2KHKHRH3PRSS1
Hydrochloric Acid SCHEMBL7559934 0.81 F2 (0.34) F10F2DRD2KHKPRSS1

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