SCHEMBL7828219

SCHEMBL7828219

O=C(O)N1CCNCC1CN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR3 P51677 2/20 0.45
DPP4 P27487 1/20 0.45
GRIN2B Q13224 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
SCHEMBL873611 0.84 DPP4 (0.57) DPP4
SCHEMBL873610 0.84 DPP4 (0.57) DPP4
SCHEMBL7824246 0.77 GRIN2B (0.46) CCR3GRIN2B
SCHEMBL7813331 0.74 CCR3 (0.64) CCR3
SCHEMBL4966754 0.74 GBA1 (0.50) CCR3GRIN2B
SCHEMBL5999857 0.73 MEN1 (0.64) MEN1KMT2ACCR3GRIN2B
SCHEMBL590923 0.73 CA1 (0.62) DPP4
SCHEMBL28045116 0.73 CA1 (0.62) DPP4
SCHEMBL2925616 0.72 MEN1 (0.60) MEN1KMT2A
SCHEMBL3314580 0.71 DPP4 (0.53) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed