SCHEMBL7365852

SCHEMBL7365852

O=C1NCC(CCC2CCN(Cc3ccccc3)CC2)N1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.52
BCHE P06276 2/20 0.49
CCR3 P51677 1/20 0.49
CHRM4 P08173 1/20 0.47

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
SCHEMBL15140944 0.77 CCR3 (0.73) ACHEBCHECCR3
SCHEMBL22623844 0.74 ACHE (0.58) ACHEBCHECCR3
SCHEMBL7281478 0.72 CCR3 (0.67) ACHEBCHECCR3
SCHEMBL3107807 0.72 CCR3 (0.71) ACHEBCHECCR3
SCHEMBL7365851 0.72 ACHE (0.62) ACHE
SCHEMBL3870053 0.71 OPRL1 (0.55) ACHECCR3
SCHEMBL24404498 0.71 CCR3 (0.69) ACHEBCHECCR3
SCHEMBL4499901 0.71 CCR3 (0.69) ACHEBCHECCR3
SCHEMBL4499239 0.71 CCR3 (0.69) ACHEBCHECCR3
SCHEMBL1714316 0.71 CCR3 (0.74) ACHEBCHECCR3

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
WO-1997028157-A1 NOVEL PIPERIDINE DERIVATIVES 4-SUBSTITUTED BY AN IMIDAZOLIDIN-2-ON-1-YL-ETHYL, TETRAHYDROPYRIMIDIN-2-ON-1-YL-ETHYL AND 1,3-DIAZEPIN-2-ON-1-YL-ETHYL GROUP, AND USE THEREOF AS α2-ADRENERGIC RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed