SCHEMBL8987693

SCHEMBL8987693

O=C(O)CCCN(Cc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.52
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NCOR2 Q9Y618 2/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL1830778 0.80 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL15862571 0.80 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8MAPK1
Hydrochloric Acid SCHEMBL8987622 0.78 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL13068773 0.77 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL8987668 0.76 OPRD1 (0.44) OPRD1SIGMAR1
SCHEMBL19538211 0.75 MEN1 (0.47) OPRD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27567127 0.75 MEN1 (0.47) OPRD1HDAC3HDAC1HDAC2HDAC8
SCHEMBL7982573 0.75 ALDH1A1 (0.53) OPRD1ADRA1ASLC6A3SMN1; SMN2SIGMAR1
SCHEMBL4327317 0.75 HDAC1 (0.71) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL28878133 0.75 LMNA (0.46) HDAC3HDAC1HDAC2HDAC8MAPK1

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