SCHEMBL8133152

SCHEMBL8133152

CN(C)C(=O)/C=C/c1ccc2c(c1)c(CC1CCN(Cc3ccccc3)C1)cn2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 2/20 0.48
BCHE P06276 8/20 0.47
ACHE P22303 8/20 0.47
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41

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
SCHEMBL8133156 1.00 HTR2A (0.48) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL8132940 0.90 BCHE (0.49) BCHEACHEMAOAMAOBHDAC3
SCHEMBL8132943 0.90 BCHE (0.49) BCHEACHEMAOAMAOBHDAC3
SCHEMBL8129042 0.82 BCHE (0.45) DRD2BCHEACHEMAOAMAOB
SCHEMBL8129045 0.82 BCHE (0.45) DRD2BCHEACHEMAOAMAOB
SCHEMBL8131620 0.77 ACHE (0.49) HTR2ASIGMAR1DRD2BCHEACHE
SCHEMBL8130052 0.77 ACHE (0.50) DRD2BCHEACHEMAOAMAOB
SCHEMBL8119111 0.77 BCHE (0.48) BCHEACHE
SCHEMBL8124394 0.74 BCHE (0.51) HTR2ABCHEACHE
SCHEMBL8119499 0.73 BCHE (0.46) HTR2ASIGMAR1BCHEACHE

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-0610134-B1 Indole derivatives as 5-HT1-like agonists ADIR (FR) 2000-04-05 EP disclosed
US-5348968-A Migraines ADIR ET COMPAGNIE (FR) 1994-09-20 US disclosed