SCHEMBL7313874

SCHEMBL7313874

CC(C)Oc1cccc2c1OC(CNCC1CCCCCC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL7317381 0.87 HTR1A (0.56) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7321215 0.87 HTR1A (0.56) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7318030 0.87 HTR1A (0.56) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7307892 0.87 HTR1A (0.56) NFKB1NFKB2RELAHTR1AHTR1D
Hydrochloric Acid SCHEMBL467043 0.86 HTR1A (0.55) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7116097 0.82 NFKB1 (0.57) NFKB1NFKB2RELA
SCHEMBL7116091 0.82 NFKB1 (0.57) NFKB1NFKB2RELA
SCHEMBL7114684 0.81 KDM4E (0.38) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7114678 0.81 KDM4E (0.38) NFKB1NFKB2RELAHTR1AHTR1D
SCHEMBL7309189 0.80 NFKB1 (0.44) NFKB1NFKB2RELAHTR1AHTR1D

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
US-5318988-A Treating psychoses BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US claimed