SCHEMBL7472786

SCHEMBL7472786

COC(=O)CC[C@H]1CC[C@H](n2ccn(-c3ccc4c(c3)CCN(C)CC4(C)C)c2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 2/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL7472793 1.00 MGAT2 (0.31) MGAT2HSP90AA1HSP90AB1
SCHEMBL8562566 0.82 DRD2 (0.35)
SCHEMBL8562570 0.82 DRD2 (0.35)
Hydrochloric Acid SCHEMBL7475548 0.82 MGAT2 (0.32) MGAT2
SCHEMBL7476926 0.80 DRD2 (0.32)
SCHEMBL8562233 0.80 ESR1 (0.39)
SCHEMBL7476930 0.80 DRD2 (0.32)
SCHEMBL8562237 0.80 ESR1 (0.39)
SCHEMBL7392002 0.73 CYP11B1 (0.37)
SCHEMBL7393255 0.73 CYP11B1 (0.37)

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