SCHEMBL7764589

SCHEMBL7764589

CCC[C@@]1(C(O)=S)C(c2cccc3ccccc23)CCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
FKBP1A P62942 11/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL7761516 0.83 FKBP1A (0.40) DRD2SLC6A4FKBP1ARIPK1
SCHEMBL7429157 0.81 FKBP1A (0.39) FKBP1ARIPK1
SCHEMBL6570607 0.81 FKBP1A (0.39) FKBP1ARIPK1
SCHEMBL8485753 0.77 PSEN1 (0.35) FKBP1ARIPK1
SCHEMBL6049184 0.75 RIPK1 (0.40) FKBP1ARIPK1
SCHEMBL5700697 0.74 FKBP1A (0.33) FKBP1ARIPK1
SCHEMBL5282826 0.68 FKBP1A (0.35) FKBP1A
SCHEMBL5282825 0.64 FKBP1A (0.40) FKBP1ARIPK1
SCHEMBL5700676 0.62 FKBP1A (0.41) FKBP1ARIPK1
SCHEMBL7411203 0.61 FKBP1A (0.39) FKBP1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP disclosed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed