Azepane

Azepane

SCHEMBL5406898

C1CCCNCC1.O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GPR35 Q9HC97 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
DNA2 P51530 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.39

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
Azepane SCHEMBL2880906 0.88 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL30893562 0.86 TSHR (0.68) TSHRGPR35TDP1L3MBTL1DNA2
SCHEMBL3671 0.86 TSHR (0.68) TSHRGPR35TDP1L3MBTL1DNA2
SCHEMBL28208709 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
Lithium Ion SCHEMBL7791976 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
SCHEMBL16267318 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
Ammonia Solution, Strong SCHEMBL28168558 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
Potassium Ion SCHEMBL16267317 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
SCHEMBL10824707 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2
SCHEMBL7791983 0.84 TSHR (0.66) TSHRGPR35TDP1L3MBTL1DNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051066-A Corrosion-inhibiting rubber and methods of preparation NORTHERN INSTRUMENTS CORPORATION (US) 1977-09-27 US claimed
US-7306663-B2 Comprises primary (methoxypropylamine), secondary (morpholine), and /or tertiary (4-ethylmorpholine and/or triethanolamine) amine, and carboxylic acid (benzoic acid) complexing agent; prevents flash rusting on ferrous substrates; paints HALOX, DIVISION OF HAMMOND GROUP, INC. (US) 2007-12-11 US disclosed
US-20050032664-A1 Corrosion inhibitor ICL SPECIALTY PRODUCTS INC. 2005-02-10 US disclosed
EP-1505177-A1 Corrosion inhibiting compositions and method for metal substrates Hammond Group, Inc. (US) 2005-02-09 EP disclosed