SCHEMBL7053098

SCHEMBL7053098

O=C(NCCCCN1CCC(Nc2cccc(C(F)(F)F)c2)CC1)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 5/20 0.52
HDAC4 P56524 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
DRD2 P14416 6/20 0.49
HTR1A P08908 4/20 0.49
HTR2A P28223 4/20 0.49
CCR2 P41597 1/20 0.47
DRD3 P35462 4/20 0.46

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
SCHEMBL7051897 0.85 DRD2 (0.69) RAB9AMEN1POLBKMT2AHDAC3
SCHEMBL7057796 0.80 DRD3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7119593 0.80 CCR3 (0.55) DRD2CCR2DRD3CCR3
Hydrochloric Acid SCHEMBL7056135 0.79 DRD4 (0.59) DRD2HTR1AHTR2ACCR2DRD3
SCHEMBL7054406 0.78 DRD3 (0.57) DRD2HTR1AHTR2ADRD3HTR2C
SCHEMBL7055659 0.77 DRD2 (0.50) DRD2CCR2DRD3CCR3
SCHEMBL7052435 0.76 DRD2 (0.48) DRD2HTR1AHTR2ACCR2DRD3
SCHEMBL7052427 0.76 DRD2 (0.48) POLBDRD2HTR1AHTR2ACCR2
SCHEMBL7057584 0.76 DRD3 (0.69) DRD2DRD3
SCHEMBL7060979 0.76 DRD2 (0.52) MEN1KMT2ADRD2CCR2DRD3

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
WO-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed