SCHEMBL14723852

SCHEMBL14723852

C=C1Cc2ccccc2C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.46
▸ NFKB1 P19838 1/20 0.44
▸ MAOB P27338 6/20 0.38
▸ P4HB P07237 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ KEAP1 Q14145 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ ITGAL P20701 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL1953162 0.89 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953164 0.89 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL12569866 0.80 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953441 0.77 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953443 0.77 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL14723842 0.76 GPR183 (0.48) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL12569944 0.76 GPR183 (0.48) GPR183NFKB1MAOBHRH3
SCHEMBL28905813 0.76 NFKB1 (0.71) GPR183NFKB1MAOBP4HBABCG2
Hydrochloric Acid SCHEMBL1951182 0.76 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL14723839 0.74 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2

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-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
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