SCHEMBL11115905

SCHEMBL11115905

NCCN1CCN(C2c3ccccc3COc3ccc(F)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
P2RX7 Q99572 1/20 0.36
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR2B P41595 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11116042 0.87 P2RX7 (0.36) P2RX7HTR1ADRD1HTR2BHTR2C
SCHEMBL11161913 0.86 DRD1 (0.38) DRD2DRD3DRD1KCNH2MAPT
SCHEMBL11113064 0.85 DRD2 (0.35) DRD2P2RX7DRD1KCNH2
SCHEMBL10552423 0.80 TAAR1 (0.40) DRD2DRD3DRD1KCNH2
SCHEMBL11118052 0.78 ACHE (0.39) DRD2DRD3HTR2AHTR1AADRA2A
SCHEMBL10674243 0.77 SLC6A4 (0.45) DRD2DRD3MAPK1
SCHEMBL10674246 0.77 SLC6A4 (0.45) DRD2DRD3MAPK1
SCHEMBL9468186 0.76 P2RX7 (0.53) DRD2P2RX7HTR2ADRD1
SCHEMBL11112033 0.76 MEN1 (0.39) HTR2AHTR2C
SCHEMBL11117418 0.76 MAPT (0.46) DRD2DRD3HTR2AHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038564-B1 DIBENZ (B,E) OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1984-09-12 EP disclosed
US-4396550-A ANTICHOLINERGIC, ANTIHISTIMINIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-08-02 US disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed