SCHEMBL8300092

SCHEMBL8300092

O=C(O)CC1CCC(C2CCN(Nc3ccnnc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.35
LRRK2 Q5S007 5/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PREP P48147 1/20 0.33
FFAR4 Q5NUL3 5/20 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
SCHEMBL8298648 0.87 CDK9 (0.36) LRRK2ITGB3ITGA2BFFAR4
SCHEMBL8302338 0.86 ITGB3 (0.42) DGAT1ITGB3ITGA2BFFAR4
SCHEMBL8300331 0.72 KDM4E (0.43) DGAT1ITGB3ITGA2BFFAR4
SCHEMBL8305658 0.72 CCNT1 (0.38) DGAT1LRRK2ITGB3ITGA2BFFAR4
SCHEMBL8305139 0.71 CDK9 (0.36) LRRK2FFAR4
SCHEMBL8304380 0.69 DRD3 (0.36)
SCHEMBL8302166 0.69 ITGB3 (0.39) DGAT1ITGB3ITGA2B
SCHEMBL8300679 0.68 CCR3 (0.39) ITGB3ITGA2B
SCHEMBL7790830 0.68 DRD2 (0.44) ITGB3ITGA2BFFAR4
SCHEMBL7787452 0.68 KDM4E (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 EP disclosed