SCHEMBL8690653

SCHEMBL8690653

COc1ccc(OCCN2CCC(=CCN(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
DRD3 P35462 10/20 0.50
DRD2 P14416 5/20 0.48
ABCB1 P08183 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNA5 P22460 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8693731 0.88 LTA4H (0.53) LTA4HDRD3DRD2HRH3MEN1
SCHEMBL8696174 0.88 LTA4H (0.50) LTA4HHRH3MEN1KMT2AKCNA5
Hydrochloric Acid SCHEMBL8690258 0.87 LTA4H (0.49) LTA4HMEN1KMT2AKCNA5
SCHEMBL8690263 0.82 DRD2 (0.46) LTA4HDRD3DRD2MEN1KMT2A
SCHEMBL9027139 0.75 LTA4H (0.50) LTA4HDRD3DRD2HRH3
SCHEMBL15257179 0.74 LTA4H (0.82) LTA4HDRD3HRH3POLBMAPT
SCHEMBL14970684 0.74 LTA4H (0.82) LTA4HDRD3HRH3POLBMAPT
SCHEMBL8689825 0.73 LTA4H (0.55) LTA4HDRD3DRD2HRH3KMT2A
SCHEMBL13150791 0.72 DRD3 (0.72) LTA4HDRD3DRD2KCNA5
Hydrochloric Acid SCHEMBL14966283 0.72 LTA4H (0.79) LTA4HDRD3HRH3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 WO disclosed