SCHEMBL10697391

SCHEMBL10697391

NCCCC(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MC4R P32245 1/20 0.47
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
IDO1 P14902 4/20 0.45
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
TSHR P16473 1/20 0.42
MMP2 P08253 1/20 0.41
CHRM2 P08172 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 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
SCHEMBL6563037 0.91 LOXL2 (0.50) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL8829959 0.88 LOXL2 (0.47) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL514488 0.83 LOXL2 (0.60) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL5148823 0.83 LOXL2 (0.60) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL22179659 0.82 LOXL2 (0.50) LOXL2DPP4DPP7IDO1ANPEP
Hydrochloric Acid SCHEMBL9355954 0.81 LOXL2 (0.58) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL12793699 0.81 CHRM2 (0.49) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL6523856 0.80 LOXL2 (0.49) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL4092879 0.80 LOXL2 (0.49) LOXL2MC4RDPP4DPP7IDO1
SCHEMBL4104161 0.80 LOXL2 (0.49) LOXL2MC4RDPP4DPP7IDO1

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-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed