SCHEMBL8987696

SCHEMBL8987696

O=C(O)CCCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
LTB4R Q15722 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 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
SCHEMBL8987627 0.86 CYP2C9 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9170122 0.85 LTB4R (0.50) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL1830778 0.84 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8987558 0.83 SIGMAR1 (0.63) ALDH1A1TMEM97SIGMAR1DPP7HTT
SCHEMBL8987683 0.83 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL8987622 0.82 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8987493 0.82 FFAR1 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8987490 0.81 SMN1; SMN2 (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL15862571 0.80 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9172532 0.79 MEP1B (0.58) ALDH1A1LTB4RHTTFFAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345068-B1 Agonist of gamma-aminobutyric acid WYETH JOHN & BROTHER LTD (GB) 1995-03-15 EP claimed
US-5321047-A Antidepressant JOHN WYETH & BROTHER, LIMITED (GB) 1994-06-14 US claimed
EP-0345068-A2 Agonist of gamma-aminobutyric acid JOHN WYETH & BROTHER LIMITED (GB) 1989-12-06 EP claimed
JP-2032029-A None JP disclosed
US-5527955-A AGONIST OF GAMMA AMINOBUTYRIC ACID JOHN WYETH & BROTHER, LIMITED (GB) 1996-06-18 US disclosed
EP-0345068-B1 Agonist of gamma-aminobutyric acid WYETH JOHN & BROTHER LTD (GB) 1995-03-15 EP disclosed
US-5321047-A Antidepressant JOHN WYETH & BROTHER, LIMITED (GB) 1994-06-14 US disclosed
JP-H0232029-A THERAPEUTIC MEDICINE FOR DEPRESSION OR SENILE DEMENTIA JOHN WYETH & BROS LTD 1990-02-01 JP disclosed
EP-0345068-A2 Agonist of gamma-aminobutyric acid JOHN WYETH & BROTHER LIMITED (GB) 1989-12-06 EP disclosed