SCHEMBL4637204

SCHEMBL4637204

O=CC(Oc1ccc2ccccc2c1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR5A P47898 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 4/20 0.44
PKM P14618 1/20 0.43
SLC6A2 P23975 2/20 0.42
OPRD1 P41143 2/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL16825800 0.84 MEN1 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL654290 0.80 ADRB1 (0.43) SLC6A4SLC6A2OPRD1OPRM1KDM4E
SCHEMBL656548 0.80 KDM4E (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL654110 0.78 ADRB1 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL654281 0.78 CYP2D6 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL656574 0.78 P4HB (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL653052 0.78 MMP2 (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL652763 0.78 SLC6A2 (0.41) SIGMAR1SLC6A4SLC6A2KCNH2HTR1A
Hydrochloric Acid SCHEMBL16825663 0.77 CYP2D6 (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL653788 0.77 OPRD1 (0.51) OPRD1OPRM1KCNH2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed