SCHEMBL8567428

SCHEMBL8567428

COC(=O)CCC1CCC(N2CCN(c3ccc4c(c3)CCN(C(=O)C(F)(F)F)CC4)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
F10 P00742 7/20 0.34
F2 P00734 6/20 0.34
USP30 Q70CQ3 1/20 0.34
PRSS1 P07477 3/20 0.33
KHK P50053 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
ABHD6 Q9BV23 1/20 0.32

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
SCHEMBL8567424 1.00 ESR1 (0.40) ESR1ESR2F10F2USP30
SCHEMBL8568710 0.95 F10 (0.39) ESR1ESR2F10F2PRSS1
SCHEMBL8568715 0.95 F10 (0.39) ESR1ESR2F10F2PRSS1
SCHEMBL8562703 0.89 F2 (0.35) F10F2USP30KHKDRD2
SCHEMBL8562707 0.89 F2 (0.35) F10F2USP30KHKDRD2
Hydrochloric Acid SCHEMBL8561453 0.88 F2 (0.35) F10F2USP30KHKDRD2
SCHEMBL7468689 0.88 HRH3 (0.40) F10F2USP30KHK
SCHEMBL7472292 0.88 F2 (0.34) F10F2USP30PRSS1KHK
SCHEMBL7472286 0.88 F2 (0.34) F10F2USP30PRSS1KHK
SCHEMBL8564198 0.87 ESR1 (0.41) ESR1ESR2HDAC6DRD3TYRO3

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-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed