SCHEMBL8613755

SCHEMBL8613755

O=C(O)CC1CCC(N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGA2B P08514 8/20 0.56
HRH3 Q9Y5N1 3/20 0.50
FFAR4 Q5NUL3 1/20 0.47
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44

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
SCHEMBL2942824 0.86 ITGB3 (0.63) ITGB3ITGA2BFFAR4
Hydrochloric Acid SCHEMBL2948256 0.84 ITGB3 (0.62) ITGB3ITGA2BFFAR4
SCHEMBL7787414 0.84 ITGB3 (0.56) ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL7787432 0.84 ITGB3 (0.53) ITGB3ITGA2BHRH3FFAR4
Hydrochloric Acid SCHEMBL7327151 0.83 ITGB3 (0.60) ITGB3ITGA2BFFAR4
SCHEMBL8612116 0.83 HRH3 (0.47) ITGB3ITGA2BHRH3KDM4EMEN1
SCHEMBL7788456 0.82 ITGB3 (0.61) ITGB3ITGA2BKMT2A
SCHEMBL7782716 0.82 DRD2 (0.59) ITGB3ITGA2BHRH3
SCHEMBL19134110 0.81 FFAR4 (0.70) ITGB3ITGA2BFFAR4
SCHEMBL7788365 0.81 ITGB3 (0.62) ITGB3ITGA2BFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed
EP-0808306-A1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-11-26 EP disclosed
WO-1996024586-A1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-08-15 WO disclosed