SCHEMBL8912565

SCHEMBL8912565

[NH]C1CCOc2ccc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.51
ADRA2A P08913 2/20 0.50
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
TERT O14746 1/20 0.37
AHR P35869 2/20 0.36
HCRTR2 O43614 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
GABRA1 P14867 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL4794451 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL27859985 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL1265783 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL24997240 0.79 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL16397491 0.79 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL24075122 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL13198495 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL24393413 0.79 MAP3K14 (0.75) MAP3K14ADRA2ADRD2DRD3TERT
SCHEMBL21436437 0.79 MAP3K14 (0.51) MAP3K14ADRA2ADRD2DRD3TERT
Hydrochloric Acid SCHEMBL1066097 0.77 MAP3K14 (0.50) MAP3K14ADRA2ADRD2DRD3TERT

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-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed