SCHEMBL8559911

SCHEMBL8559911

O=C(O)CCc1ccc(N2C(=O)CN(c3ccc4c(c3)CCNCC4)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ENPP2 Q13822 1/20 0.35
MLNR O43193 2/20 0.34
ACHE P22303 1/20 0.34
ESR1 P03372 1/20 0.34
FFAR1 O14842 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
SCHEMBL8562408 0.85 S1PR1 (0.44) HTR6PPARDPPARARXRARXRB
Hydrochloric Acid SCHEMBL8566413 0.83 RXRA (0.43) HTR6PPARDPPARARXRARXRB
SCHEMBL8563938 0.81 RXRA (0.43) HTR6PPARDPPARARXRARXRB
SCHEMBL8557059 0.79 S1PR1 (0.43) HTR6PPARDPPARARXRARXRB
Hydrochloric Acid SCHEMBL8564109 0.78 S1PR1 (0.47) HTR6RXRARXRBRXRGMLNR
Hydrochloric Acid SCHEMBL8559315 0.77 PRMT1 (0.43) HTR6ACHE
Hydrochloric Acid SCHEMBL8560694 0.76 RXRA (0.39) HTR6PPARDPPARARXRARXRB
Hydrochloric Acid SCHEMBL8559613 0.76 HTR6 (0.39) HTR6RXRARXRBRXRGITGB3
Hydrochloric Acid SCHEMBL20509927 0.76 RXRA (0.50) RXRARXRBRXRGITGB3ITGA2B
SCHEMBL8560143 0.75 RXRA (0.40) HTR6PPARDPPARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
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