SCHEMBL11117063

SCHEMBL11117063

OCCN1CCN(C2c3ccccc3COc3c(-c4ccccc4)cccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
HTR2B P41595 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HK1 P19367 1/20 0.37
MAPK1 P28482 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
SLC18A3 Q16572 1/20 0.36
P2RX7 Q99572 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
SCHEMBL11115373 0.87 HTR2B (0.46) HTTHTR2BTMEM97HTR1AHTR7
SCHEMBL11117377 0.85 HTR2A (0.42) LMNAHTR2AHTR2CHRH1POLB
SCHEMBL11117418 0.76 MAPT (0.46) LMNAHTR2BHTR1AHTR7HTR2A
SCHEMBL11112033 0.76 MEN1 (0.39) HTR2AHTR2CHRH1MEN1KMT2A
SCHEMBL11111188 0.74 ALDH1A1 (0.41) HTR2AHTR2CHRH1ALDH1A1TSHR
SCHEMBL10863210 0.69 HTR2A (0.52) LMNAHTTHTR1ASIGMAR1HTR2A
SCHEMBL15743329 0.66 SLC18A3 (0.64) LMNAHTTHTR1AHTR7POLB
Hydrochloric Acid SCHEMBL9455315 0.65 CNR1 (0.38) HTTALDH1A1MEN1KMT2A
SCHEMBL7682336 0.65 P2RX7 (0.52) HTTHTR1AHTR2CPOLBALDH1A1
SCHEMBL11115905 0.64 DRD2 (0.37) HTR2BHTR1AHTR2AHTR2CMAPK1

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