SCHEMBL11117418

SCHEMBL11117418

OCCN1CCN(C2c3ccccc3COc3ccc(Cl)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL11112033 0.87 MEN1 (0.39) HTR2AHTR2CHRH1MEN1RAB9A
SCHEMBL11154666 0.86 DRD2 (0.47) MAPTTP53TSHRHTR2AHTR2C
SCHEMBL11111188 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHTR2AHTR2CHRH1
SCHEMBL11117377 0.76 HTR2A (0.42) MAPK1POLBALDH1A1HTR2AHTR2C
SCHEMBL11116042 0.76 P2RX7 (0.36) POLBALDH1A1HTR2CHTR1ASLC6A2
SCHEMBL11117063 0.76 LMNA (0.44) MAPK1POLBALDH1A1TSHRHTR2A
SCHEMBL11115905 0.76 DRD2 (0.37) MAPTMAPK1HTR2AHTR2CHTR1A
SCHEMBL11113064 0.74 DRD2 (0.35) DRD2KCNH2
SCHEMBL11618845 0.74 SLC6A2 (0.41) MAPTHTR2AHTR2CHRH1CYP3A4
SCHEMBL11155380 0.72 DRD1 (0.39) MAPTALDH1A1MEN1DRD2SLC6A2

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