SCHEMBL8561284

SCHEMBL8561284

O=C(O)CS(=O)(=O)c1ccc(N2CCN(c3ccc4c(c3)CCNCC4)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.43
HTR2B P41595 8/20 0.43
HTR6 P50406 2/20 0.42
MLNR O43193 7/20 0.40
CYP2D6 P10635 3/20 0.40

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
Hydrochloric Acid SCHEMBL8564486 0.81 HTR6 (0.44) HTR6
SCHEMBL8562408 0.80 S1PR1 (0.44) HTR6MLNR
SCHEMBL8561281 0.77 QPCT (0.39) HTR2CHTR2BHTR6MLNRCYP2D6
Hydrochloric Acid SCHEMBL8564109 0.77 S1PR1 (0.47) HTR2CHTR6MLNR
Hydrochloric Acid SCHEMBL8561390 0.76 HTR6 (0.45) HTR6
Hydrochloric Acid SCHEMBL8896246 0.75 PRMT1 (0.58) HTR6
Hydrochloric Acid SCHEMBL8565324 0.75 PRMT1 (0.58) HTR6
Hydrochloric Acid SCHEMBL8566413 0.75 RXRA (0.43) HTR2CHTR2BHTR6
Hydrochloric Acid SCHEMBL8559315 0.74 PRMT1 (0.43) HTR6
Hydrochloric Acid SCHEMBL8562284 0.74 HTR6 (0.40) HTR6

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