SCHEMBL7057592

SCHEMBL7057592

NC(=O)c1cccc(OC2CCN(CCCCNC(=O)c3ccc(Br)cc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.57
SLC5A7 Q9GZV3 1/20 0.54
CCR3 P51677 3/20 0.53
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
CCR2 P41597 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DRD4 P21917 1/20 0.49
TSHR P16473 1/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
F10 P00742 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL7057318 0.87 CCR3 (0.54) SLC5A7CCR3DRD2DRD3CCR2
SCHEMBL7050625 0.85 DRD2 (0.54) SLC5A7CCR3DRD2DRD3CCR2
SCHEMBL7052223 0.81 DRD3 (0.77) DRD2DRD3DRD4ALDH1A1
SCHEMBL7055667 0.77 CCR3 (0.49) CCR3DRD2DRD3CCR2MEN1
SCHEMBL12437365 0.76 MEN1 (0.61) SLC5A7CCR3DRD2DRD3MEN1
SCHEMBL6396595 0.76 CCR3 (0.70) CCR3MEN1KMT2ARAB9AOPRM1
SCHEMBL17194340 0.75 OPRM1 (0.66) SLC5A7CCR3MEN1KMT2ANPC1
SCHEMBL14026961 0.73 SLC5A7 (0.54) SLC5A7MEN1KMT2ANPC1ALDH1A1
SCHEMBL14006003 0.73 TSHR (0.70) DRD2DRD3CCR2DRD4TSHR
SCHEMBL18871751 0.73 OPRK1 (0.69) OPRK1OPRM1OPRD1

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