SCHEMBL10358733

SCHEMBL10358733

CN(CCc1ccccc1N1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.69
OPRK1 P41145 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42

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
Hydrochloric Acid SCHEMBL10359115 0.99 SIGMAR1 (0.68) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
SCHEMBL16333376 0.86 SIGMAR1 (0.57) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
SCHEMBL9769394 0.85 SIGMAR1 (0.63) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL10697993 0.84 SIGMAR1 (0.62) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
SCHEMBL9769335 0.83 SIGMAR1 (0.67) SIGMAR1OPRK1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10358557 0.82 SIGMAR1 (0.66) SIGMAR1OPRK1KMT2AMEN1ALDH1A1
SCHEMBL9769318 0.79 SIGMAR1 (0.61) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL10359123 0.78 SIGMAR1 (0.60) SIGMAR1OPRK1KMT2AMEN1L3MBTL1
SCHEMBL9769300 0.75 LTB4R (0.43) SIGMAR1KMT2AMEN1
SCHEMBL9769402 0.75 KCNQ2 (0.54) SIGMAR1OPRK1KMT2AMEN1ALDH1A1

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
EP-0261842-B1 N1-ACYLATED-(1-(PHENYL OR BENZYL))-1,2-ETHYLENE DIAMINES Dr. Lo. Zambeletti S.p.A. (IT) 1990-11-22 EP claimed