SCHEMBL11118052

SCHEMBL11118052

Fc1ccc(C(c2ccc(F)cc2)N2CCN(C3c4ccccc4COc4ccc(F)cc43)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
CACNA1B Q00975 2/20 0.37
HIF1A Q16665 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL11161913 0.83 DRD1 (0.38) ACHEMAPTMAPK1DRD2DRD1
SCHEMBL10552423 0.80 TAAR1 (0.40) DRD2DRD1DRD3KCNH2
SCHEMBL11115905 0.78 DRD2 (0.37) MAPTMAPK1HTR1AADRA2ADRD2
SCHEMBL11115708 0.72 GRM7 (0.40) CHRM1DRD2SLC6A2SLC6A4DRD3
SCHEMBL10674246 0.71 SLC6A4 (0.45) MEN1KMT2ALMNACYP2D6HIF1A
SCHEMBL10674243 0.71 SLC6A4 (0.45) MEN1KMT2ALMNACYP2D6HIF1A
SCHEMBL11155380 0.70 DRD1 (0.39) ACHEMEN1KMT2AMAPTDRD2
SCHEMBL10559305 0.70 DRD2 (0.42) MAPTDRD2SLC6A2HTR2AHTR2C
SCHEMBL11154666 0.69 DRD2 (0.47) MEN1KMT2ALMNACYP2D6HIF1A
SCHEMBL10447051 0.69 SLC6A2 (0.39) ADRA2ADRD2ADRA2CSLC6A2HTR2A

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