SCHEMBL3246012

SCHEMBL3246012

COc1cnc2cccc(CCC[C@H]3CCN(Cc4cc5ccccc5o4)C[C@@H]3OC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.44
MTNR1B P49286 5/20 0.42
MTNR1A P48039 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2B P41595 12/20 0.41
DRD2 P14416 9/20 0.41
HTR1A P08908 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
SCHEMBL3239669 0.90 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3239661 0.90 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3252171 0.88 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3252168 0.88 CCR8 (0.46) CCR8MTNR1BMTNR1ASMN1; SMN2HTR2B
SCHEMBL3239809 0.87 CCR8 (0.43) CCR8SMN1; SMN2
SCHEMBL3239699 0.77 KCNH2 (0.55) MTNR1BMTNR1A
SCHEMBL3246398 0.77 KCNH2 (0.52)
SCHEMBL3246402 0.77 KCNH2 (0.52)
SCHEMBL5330379 0.75 KCNH2 (0.45) CCR8SMN1; SMN2
SCHEMBL5443493 0.75 KCNH2 (0.45) CCR8SMN1; SMN2

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-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP claimed