SCHEMBL8557053

SCHEMBL8557053

O=C(O)CCc1ccccc1C1CNC(=O)N1c1ccc2c(c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.41
CFD P00746 1/20 0.35
F11 P03951 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
ITGB3 P05106 2/20 0.33
ITGA2 P17301 1/20 0.33
ITGA2B P08514 1/20 0.33
PTK2 Q05397 1/20 0.33
QPCT Q16769 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL8560491 0.94 HTR6 (0.43) HTR6CFDF11PARP1PARP2
SCHEMBL8562403 0.94 HTR6 (0.40) HTR6CFDF11PARP1QPCT
SCHEMBL8559857 0.86 PARP1 (0.36) HTR6PARP1QPCT
SCHEMBL8564812 0.84 ESR1 (0.31) QPCT
SCHEMBL8559319 0.83 TMEM97 (0.36) PARP1PTK2
SCHEMBL8557055 0.83 ITGB3 (0.38) HTR6PARP1PARP2PARP3ITGB3
SCHEMBL8560495 0.77 HTR6 (0.43) HTR6ITGB3ITGA2BQPCT
SCHEMBL8562406 0.77 HTR6 (0.39) HTR6PARP1ITGB3ITGA2BQPCT
Hydrochloric Acid SCHEMBL8564266 0.76 HTR6 (0.37) HTR6PARP1ITGB3ITGA2BQPCT
Hydrochloric Acid SCHEMBL8562178 0.76 HTR6 (0.36) HTR6ITGB3ITGA2BQPCT

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 1 patent. 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