SCHEMBL8304874

SCHEMBL8304874

O=C(O)CC1CCC(N2CCC(Oc3ccnnc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
HRH3 Q9Y5N1 12/20 0.40
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
ACSL1 P33121 1/20 0.38

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
SCHEMBL8298757 0.87 HRH3 (0.49) FFAR4HRH3
SCHEMBL8298648 0.74 CDK9 (0.36) FFAR4HRH3CCNT1CDK9
SCHEMBL8305658 0.74 CCNT1 (0.38) FFAR4CCNT1CDK9
SCHEMBL8305336 0.72 KDM4E (0.43) FFAR4HRH3CCNT1CDK9
SCHEMBL8305139 0.71 CDK9 (0.36) FFAR4HRH3CCNT1CDK9
SCHEMBL22446347 0.70 BTK (0.45)
SCHEMBL16499811 0.70 HTR2A (0.44) FFAR4
SCHEMBL8304380 0.69 DRD3 (0.36) CCNT1CDK9
SCHEMBL8613755 0.68 ITGB3 (0.56) FFAR4HRH3
SCHEMBL8301327 0.68 KDM4E (0.43) CCNT1CDK9

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