SCHEMBL8311316

SCHEMBL8311316

CCCCN([C]=O)C(CCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.39
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 3/20 0.38
SLC1A3 P43003 2/20 0.38
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9838350 0.77 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2815067 0.74 CHRM1 (0.45) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1995119 0.71 CA12 (0.34) CA12CA1CA9MMP1MMP2
SCHEMBL29588540 0.70 NOD1 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL270451 0.70 CA12 (0.32) TDP1CA12CA1CA9MMP1
SCHEMBL27489868 0.69 CA2 (0.47) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2002393 0.69 CA12 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL3783724 0.69 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12932066 0.69 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3783721 0.69 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-0925299-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-30 EP disclosed
WO-1998003507-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-29 WO disclosed