SCHEMBL8043687

SCHEMBL8043687

CC(C)(C)OC(=O)N1CCN(c2cccc3ccoc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49

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
SCHEMBL7840531 0.82 HTR1A (0.53)
SCHEMBL1059051 0.81 SMARCA2 (0.49) CKS1BSKP1SKP2
SCHEMBL8560546 0.81 CKS1B (0.49) CKS1BSKP1SKP2
SCHEMBL15985821 0.81 ALDH1A1 (0.45) CKS1BSKP1SKP2
SCHEMBL23443530 0.81 FASN (0.51)
SCHEMBL6299247 0.81 GBA1 (0.47) CKS1BSKP1SKP2
Hydrochloric Acid SCHEMBL6793804 0.81 SMARCA2 (0.48) CKS1BSKP1SKP2
SCHEMBL4558301 0.80 BACE1 (0.59) CKS1BSKP1SKP2
SCHEMBL6298047 0.80 ACHE (0.44) CKS1BSKP1SKP2
SCHEMBL5366552 0.78 TP53 (0.49) CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114334-A CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0839144-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003067-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed