SCHEMBL11677849

SCHEMBL11677849

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CHRM2 P08172 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ THRB P10828 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ OPRD1 P41143 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
SCHEMBL11678574 0.89 KDM4E (0.54) L3MBTL1KDM4ECHRM2ADRA2BDRD3
SCHEMBL11679975 0.82 KDM4E (0.52) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL11675968 0.81 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL11678598 0.80 L3MBTL1 (0.72) L3MBTL1KDM4ECHRM2HRH3ALDH1A1
Hydrochloric Acid SCHEMBL11679014 0.79 L3MBTL1 (0.70) L3MBTL1KDM4EALDH1A1MAPTLMNA
SCHEMBL11678584 0.78 KDM4E (0.62) L3MBTL1KDM4EHRH3ALDH1A1MAPT
SCHEMBL11679191 0.78 KDM4E (0.81) L3MBTL1KDM4EDRD3HRH3ALDH1A1
Hydrochloric Acid SCHEMBL11678840 0.77 ALPL (0.64) L3MBTL1KDM4EHRH3ALDH1A1MAPT
SCHEMBL11680146 0.76 KDM4E (0.88) L3MBTL1KDM4EDRD3HRH3ALDH1A1
Hydrochloric Acid SCHEMBL11676911 0.76 KDM4E (0.79) L3MBTL1KDM4EDRD3ALDH1A1MAPT

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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