SCHEMBL8987604

SCHEMBL8987604

O=C(O)CCCN(Cc1cccc(Br)c1)Cc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
HTT P42858 1/20 0.64
HDAC3 O15379 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
NCOR2 Q9Y618 2/20 0.49
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGES O14684 1/20 0.46
MEP1B Q16820 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL6519103 0.83 KMT2A (0.50) KMT2AMEN1HTTHDAC3HDAC1
SCHEMBL1830778 0.82 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8987490 0.82 SMN1; SMN2 (0.53) KMT2AMEN1HTTHDAC3HDAC1
Hydrochloric Acid SCHEMBL8987622 0.80 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1445967 0.79 HDAC3 (0.63) KMT2AMEN1HTTHDAC3HDAC1
SCHEMBL10182209 0.79 SIGMAR1 (0.56) KMT2AMEN1HTTFFAR1FFAR4
SCHEMBL15862571 0.79 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL21724417 0.78 PTGES (0.55) KMT2AMEN1HTTPTGESMEP1B
SCHEMBL29676744 0.78 MAPT (0.62) KMT2AMEN1HTTHDAC3HDAC1
SCHEMBL2067295 0.78 MAPT (0.62) KMT2AMEN1HTTHDAC3HDAC1

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 7 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
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
EP-0345068-A2 Agonist of gamma-aminobutyric acid JOHN WYETH & BROTHER LIMITED (GB) 1989-12-06 EP disclosed