SCHEMBL4389911

SCHEMBL4389911

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OPRD1 P41143 4/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
PRCP P42785 2/20 0.35
LSS P48449 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4389907 0.74 HRH3 (0.44) DRD2LMNA
SCHEMBL4378354 0.74 CNR1 (0.47) DRD2KMT2AMAPT
SCHEMBL4389914 0.74 DRD2 (0.41) DRD2MEN1KMT2ADRD3LSS
SCHEMBL27809493 0.67 SLC2A1 (0.42) DRD2MEN1KMT2ALSSUSP2
SCHEMBL9408355 0.65 IDO1 (0.42) DRD2MEN1KMT2APRCPUSP2
SCHEMBL19502447 0.64 HTR3A (0.44) DRD2MEN1KMT2ALSSUSP2
SCHEMBL82136 0.64 SLC18A3 (0.45) DRD2DRD3SLC18A3
SCHEMBL11457742 0.64 POLB (0.58) MEN1KMT2ALMNAMAPT
SCHEMBL175904 0.63 SLC18A3 (0.57) DRD2MEN1KMT2ASIGMAR1TP53
SCHEMBL9283502 0.63 IDO1 (0.44) DRD2MEN1KMT2ALSSUSP2

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