SCHEMBL11677726

SCHEMBL11677726

O=C(CCCCN1CC2CCC(CC2)C1)c1ccc2c(c1)Cc1cc(C(=O)CCCCN3CC4CCC(CC4)C3)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MCHR1 Q99705 11/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DRD3 P35462 3/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL11677467 0.96 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL11679282 0.82 KDM4E (0.65) KDM4EL3MBTL1MCHR1DRD3MEN1
SCHEMBL11680146 0.81 KDM4E (0.88) KDM4EL3MBTL1ALDH1A1MCHR1MAPT
Hydrochloric Acid SCHEMBL11678795 0.80 KDM4E (0.86) KDM4EL3MBTL1ALDH1A1MCHR1MAPT
SCHEMBL11677379 0.80 KDM4E (0.86) KDM4EL3MBTL1ALDH1A1MCHR1MAPT
SCHEMBL11678838 0.79 L3MBTL1 (0.68) KDM4EL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL11678065 0.78 KMT2A (0.67) KDM4EL3MBTL1MCHR1DRD3MEN1
SCHEMBL11677718 0.78 KDM4E (0.79) KDM4EL3MBTL1ALDH1A1MCHR1NPC1
SCHEMBL11676917 0.77 KDM4E (0.65) KDM4EL3MBTL1ALDH1A1MCHR1NPC1
SCHEMBL11679191 0.77 KDM4E (0.81) KDM4EL3MBTL1ALDH1A1MCHR1NPC1

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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