SCHEMBL11800382

SCHEMBL11800382

CC(CCN1CCCCC1)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)CCN3CCCCC3)ccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ ALDH1A1 P00352 8/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAOB P27338 2/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP2D6 P10635 1/20 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
▸ THRB P10828 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41

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
SCHEMBL11554941 0.81 SIGMAR1 (0.47) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL11800787 0.80 ABCC4 (0.35) ALDH1A1HPGDMAPTKDM4E
SCHEMBL11729199 0.78 L3MBTL1 (0.61) DRD3HRH3ALDH1A1HPGDMAOB
SCHEMBL11751985 0.77 KDM4E (0.67) HRH3ALDH1A1HPGDMAOBMAPT
SCHEMBL11794977 0.76 L3MBTL1 (0.59) DRD3ALDH1A1HPGDMAOBLMNA
SCHEMBL11803305 0.76 MAOB (0.64) HRH3ALDH1A1HPGDMAOBLMNA
SCHEMBL11798123 0.75 ALDH1A1 (0.43) ALDH1A1HPGDMAOBMAPTHSD17B10
Hydrochloric Acid SCHEMBL11748357 0.75 MAOB (0.65) HRH3ALDH1A1HPGDMAOBLMNA
SCHEMBL19253135 0.74 KDM4E (0.49) ALDH1A1HPGDMAOBMAPTKDM4E
SCHEMBL13818588 0.73 CYP2D6 (0.54) CHRM2ADRA2BDRD3SIGMAR1HRH3

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-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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