SCHEMBL11678574

SCHEMBL11678574

CC(CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CC(C)CN3CCCCC3)ccc1-2)CN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CHRM2 P08172 2/20 0.45
▸ ADRA2B P18089 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ ABCB1 P08183 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL11677849 0.89 L3MBTL1 (0.56) KDM4EL3MBTL1CHRM2ADRA2BDRD3
SCHEMBL11675968 0.88 L3MBTL1 (0.58) KDM4EL3MBTL1MAPTNPC1RAB9A
SCHEMBL11678584 0.79 KDM4E (0.62) KDM4EL3MBTL1HRH3MAPTNPC1
SCHEMBL11679201 0.78 RAB9A (0.51) KDM4EL3MBTL1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11678840 0.78 ALPL (0.64) KDM4EL3MBTL1HRH3MAPTNPC1
SCHEMBL11678598 0.78 L3MBTL1 (0.72) KDM4EL3MBTL1CHRM2HRH3MAPT
Hydrochloric Acid SCHEMBL11679014 0.77 L3MBTL1 (0.70) KDM4EL3MBTL1MAPTALDH1A1LMNA
SCHEMBL11679519 0.76 MAPT (0.49) KDM4EL3MBTL1MAPTNPC1RAB9A
SCHEMBL11679191 0.76 KDM4E (0.81) KDM4EL3MBTL1DRD3HRH3MAPT
SCHEMBL11679975 0.75 KDM4E (0.52) KDM4EL3MBTL1MAPTNPC1RAB9A

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
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