SCHEMBL4389914

SCHEMBL4389914

C=CCN1CCN(CC(=O)C2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.40
DEGS1 O15121 1/20 0.40
FFAR2 O15552 1/20 0.39
MCHR1 Q99705 2/20 0.39
GHSR Q92847 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CCR2 P41597 3/20 0.37
TEAD1 P28347 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LSS P48449 1/20 0.36

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
SCHEMBL4378354 0.85 CNR1 (0.47) DRD2MAPTFFAR2MCHR1KMT2A
SCHEMBL4389907 0.79 HRH3 (0.44) DRD2MCHR1CCR2
SCHEMBL894236 0.77 MAPT (0.45) DRD2DRD4DRD3MAPTDEGS1
SCHEMBL4389911 0.74 DRD2 (0.39) DRD2DRD3MAPTMEN1KMT2A
SCHEMBL13267750 0.72 MAPT (0.51) DRD2MAPTDEGS1FFAR2MCHR1
SCHEMBL24581605 0.70 MAPT (0.52) DRD2MAPTDEGS1FFAR2MCHR1
SCHEMBL1324482 0.70 OPRD1 (0.53) DRD2KMT2A
SCHEMBL20243406 0.69 DRD2 (0.50) DRD2MAPTDEGS1FFAR2MCHR1
SCHEMBL20565457 0.69 MAPT (0.51) DRD2MAPTDEGS1FFAR2MCHR1
SCHEMBL14218066 0.68 HSD11B1 (0.55) DRD2MAPTMCHR1KMT2A

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed