SCHEMBL8564972

SCHEMBL8564972

COC(=O)CCC1CCC(N2CCN(c3ccc4c(c3)CCN(CC(=O)OC)CC4)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
DRD2 P14416 12/20 0.34
DRD3 P35462 7/20 0.34
KHK P50053 1/20 0.34
ACACB O00763 2/20 0.33
USP30 Q70CQ3 1/20 0.33
ACHE P22303 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
SCHEMBL8564964 1.00 F2 (0.35) F2F10DRD2DRD3KHK
Hydrochloric Acid SCHEMBL8561299 0.92 F2 (0.35) F2F10DRD2DRD3KHK
SCHEMBL8562703 0.92 F2 (0.35) F2F10DRD2DRD3KHK
SCHEMBL8562707 0.92 F2 (0.35) F2F10DRD2DRD3KHK
SCHEMBL7468689 0.91 HRH3 (0.40) F2F10KHKUSP30
Hydrochloric Acid SCHEMBL8561453 0.91 F2 (0.35) F2F10DRD2DRD3KHK
SCHEMBL7472292 0.90 F2 (0.34) F2F10DRD2DRD3KHK
SCHEMBL7474107 0.90 PARP1 (0.38) F2F10DRD2DRD3
SCHEMBL7474111 0.90 PARP1 (0.38) F2F10DRD2DRD3
SCHEMBL7472286 0.90 F2 (0.34) F2F10DRD2DRD3KHK

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-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed