SCHEMBL28030135

SCHEMBL28030135

CC(C(=O)C(C)N1CCCC(=Cc2cccc(F)c2)C1)N1CCCC(=Cc2cccc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ NFE2L2 Q16236 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 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
SCHEMBL28030136 0.84 NFE2L2 (0.43) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL13740586 0.79 NFE2L2 (0.45) NFE2L2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL13832851 0.79 NFE2L2 (0.45) NFE2L2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL13740585 0.79 NFE2L2 (0.45) NFE2L2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL15608176 0.78 NFE2L2 (0.46) NFE2L2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL13738308 0.78 NFE2L2 (0.46) NFE2L2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL15626917 0.74 HPGDS (0.42) NFE2L2
SCHEMBL15608128 0.74 HPGDS (0.42) NFE2L2
SCHEMBL15608127 0.74 HPGDS (0.42) NFE2L2
SCHEMBL13738962 0.72 NFE2L2 (0.45) SLC6A3NFE2L2SMN1; SMN2KDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 — — CN disclosed
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 — — CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 — — CN disclosed
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