SCHEMBL7476574

SCHEMBL7476574

CCCCS(=O)(=O)N(CC(=O)O)[C@H]1CC[C@H](N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.33
F2 P00734 1/20 0.33
KHK P50053 3/20 0.33
S1PR1 P21453 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL7467625 0.88 F10 (0.37) F10F2KHKDRD2HRH3
SCHEMBL7479561 0.86 RORC (0.39) F10F2KHKHTR2AHTR2C
Hydrochloric Acid SCHEMBL7559934 0.84 F2 (0.34) F10F2KHKS1PR1CYP1A2
Hydrochloric Acid SCHEMBL7480546 0.82 F10 (0.38) F10F2KHKHRH3
Hydrochloric Acid SCHEMBL7475209 0.80 KDM4E (0.38) F10F2KHKDRD2DRD3
SCHEMBL7478455 0.79 F10 (0.37) F10F2KHKHRH3
SCHEMBL7478466 0.79 F10 (0.37) F10F2KHKHRH3
SCHEMBL7476632 0.78 F10 (0.36) F10F2KHKHRH3
SCHEMBL7476624 0.78 F10 (0.36) F10F2KHKHRH3
SCHEMBL7465362 0.78 F10 (0.37) F10F2KHKHRH3

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