SCHEMBL11679208

SCHEMBL11679208

CCCC1CCN(CCCC(=O)c2ccc3c(c2)Cc2cc(C(=O)CCCN4CCC(CCC)CC4)ccc2-3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ACHE P22303 4/20 0.54
▸ HTR4 Q13639 1/20 0.54
▸ CHRM1 P11229 2/20 0.52
▸ CHRM2 P08172 2/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ ADRA2A P08913 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ CHRM4 P08173 1/20 0.52
▸ CHRM5 P08912 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ ADRA1D P25100 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ MCHR1 Q99705 11/20 0.52
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL11806168 0.88 ACHE (0.52) ACHEHTR4CHRM1CHRM2HTR1A
SCHEMBL11678065 0.85 KMT2A (0.67) KDM4EL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL11750613 0.84 ACHE (0.51) KDM4EL3MBTL1ACHEHTR4CHRM1
SCHEMBL11676917 0.82 KDM4E (0.65) KDM4EL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL11679282 0.82 KDM4E (0.65) KDM4EL3MBTL1CHRM2HTR1AADRA2A
SCHEMBL11678538 0.82 KDM4E (0.59) KDM4EL3MBTL1ACHEMCHR1
SCHEMBL11677718 0.81 KDM4E (0.79) KDM4EL3MBTL1HTR1ADRD2DRD4
SCHEMBL11679191 0.80 KDM4E (0.81) KDM4EL3MBTL1HTR1ADRD2DRD4
SCHEMBL11678965 0.79 MCHR1 (0.75) KDM4EL3MBTL1DRD2MCHR1
Hydrochloric Acid SCHEMBL11676911 0.79 KDM4E (0.79) KDM4EL3MBTL1HTR1ADRD2DRD4

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-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
Send feedback