SCHEMBL4554837

SCHEMBL4554837

CCc1c(C(=O)O)cccc1N1CCN(C)C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.41
CHRM1 P11229 1/20 0.39
PTPN1 P18031 3/20 0.39
MAPT P10636 2/20 0.38
BRD4 O60885 2/20 0.38
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADRA2A P08913 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRA2B P18089 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
SLC6A9 P48067 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 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
SCHEMBL4554838 0.81 CHRM1 (0.40) WDR5CHRM1BRD4ADRA2AADRA2C
SCHEMBL6420682 0.77 DRD2 (0.50) MAPTHTR1ADRD2HTR6DRD4
SCHEMBL8514471 0.75 S1PR1 (0.42) MAPTALDH1A1HTR1ADRD2DRD4
SCHEMBL4554365 0.75 KDM4E (0.44) POLBALDH1A1DRD2HTR6DRD3
SCHEMBL5915129 0.75 HTR1A (0.54) BRD4ALDH1A1HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL18037806 0.74 KDM4E (0.46) MAPTPOLBALDH1A1KMT2A
SCHEMBL18766585 0.71 PTPN1 (0.39) CHRM1PTPN1MAPTPOLBALDH1A1
SCHEMBL10309775 0.70 GAA (0.45) MAPTALDH1A1KMT2A
SCHEMBL1355391 0.69 ALDH1A1 (0.52) MAPTALDH1A1
Phthalic Acid SCHEMBL4952404 0.68 ALDH1A1 (0.54) POLBALDH1A1KMT2A

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed