SCHEMBL7489908

SCHEMBL7489908

CCCC(CCNC=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
CHRM1 P11229 1/20 0.61
AKR1A1 P14550 1/20 0.61
CHRM3 P20309 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
ADRA1A P35348 1/20 0.61
HRH1 P35367 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADH1B P00325 3/20 0.46
ADH1A P07327 3/20 0.46
ADH7 P40394 3/20 0.46
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
SLC1A3 P43003 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44

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
Valproic Acid SCHEMBL28083959 0.82 CHRM1 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL3468401 0.79 CHRM1 (0.80) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL2275 0.78 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL1330837 0.78 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL140241 0.78 CHRM1 (1.00) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL19107750 0.78 HDAC1 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8349477 0.78 CHRM1 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL139238 0.76 CHRM1 (0.94) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL6910916 0.76 CHRM1 (0.94) HDAC1HDAC2CHRM1AKR1A1CHRM3
Valproic Acid SCHEMBL69795 0.76 CHRM1 (0.94) HDAC1HDAC2CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed
EP-0925299-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-30 EP disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
WO-1998003507-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-29 WO disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed