SCHEMBL8829959

SCHEMBL8829959

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
MC4R P32245 1/20 0.44
IDO1 P14902 4/20 0.41
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
MMP2 P08253 2/20 0.39
TSHR P16473 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
FAP Q12884 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL10697391 0.88 LOXL2 (0.53) LOXL2MC4RIDO1DPP4DPP7
SCHEMBL17848993 0.82 LOXL2 (0.44) LOXL2MC4RIDO1DPP4DPP7
SCHEMBL6563037 0.79 LOXL2 (0.50) LOXL2MC4RIDO1DPP4DPP7
SCHEMBL6889395 0.76 LOXL2 (0.62) LOXL2IDO1TSHRLMNAALDH1A1
SCHEMBL5148823 0.75 LOXL2 (0.60) LOXL2MC4RIDO1DPP4DPP7
Hydrochloric Acid SCHEMBL9476171 0.75 LOXL2 (0.60) LOXL2IDO1TSHRLMNAALDH1A1
SCHEMBL514488 0.75 LOXL2 (0.60) LOXL2MC4RIDO1DPP4DPP7
SCHEMBL8829958 0.74 LOXL2 (0.50) LOXL2MC4RIDO1MMP2TSHR
Hydrochloric Acid SCHEMBL9355954 0.73 LOXL2 (0.58) LOXL2MC4RIDO1DPP4DPP7
SCHEMBL18069332 0.73 LOXL2 (0.48) LOXL2IDO1TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650134-A Peptides NOVARTIS AG (FORMERLY SANDOZ LTD.) (CH) 1997-07-22 US disclosed
EP-0607103-A2 Somatostatin analogs containing chelating groups and their radiolabeled compositions SANDOZ LTD. (CH) 1994-07-20 EP disclosed