SCHEMBL11317372

SCHEMBL11317372

CCN(CC(C)N(C)C(=O)OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NOX1 Q9Y5S8 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPY5R Q15761 2/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL23124022 0.74 NPY5R (0.58) NPC1RAB9ANPY5R
SCHEMBL12961529 0.74 LTA4H (0.51) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL12639955 0.74 LTA4H (0.51) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL11312498 0.72 MAPT (0.47) MEN1KMT2ANPC1RAB9ANPY5R
SCHEMBL11826491 0.72 SCN1A (0.44) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL11142651 0.72 TSHR (0.48) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL9857416 0.71 TSHR (0.52) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL14000141 0.71 TSHR (0.52) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL5370757 0.71 ALDH1A1 (0.46) KMT2ARAB9ANPY5RCHRNB2CHRNB4
SCHEMBL12965963 0.71 CHRNB2 (0.48) MEN1KMT2ANPY5RCHRNB2CHRNB4

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
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 — — US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
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