SCHEMBL7987055

SCHEMBL7987055

C=CCCCCN(C)C(=O)C(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.51
LSS P48449 2/20 0.40
MMP2 P08253 2/20 0.39
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
KCNH2 Q12809 4/20 0.37
MAPT P10636 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FAP Q12884 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL7987049 1.00 MC4R (0.51) MC4RLSSMMP2DPP4DPP7
SCHEMBL7986417 0.83 MEN1 (0.40) MC4RLSSMAPTALDH1A1MEN1
SCHEMBL7986414 0.83 MEN1 (0.40) MC4RLSSMAPTALDH1A1MEN1
SCHEMBL7975785 0.77 MAOB (0.47) ALDH1A1
SCHEMBL7975789 0.77 MAOB (0.47) ALDH1A1
SCHEMBL7977132 0.76 MMP2 (0.40) MMP2MAPTMEN1KMT2A
SCHEMBL7975672 0.76 MMP2 (0.40) MMP2MAPTMEN1KMT2A
SCHEMBL7986420 0.74 NPC1 (0.40) LSSMAPTSIGMAR1ALDH1A1MEN1
SCHEMBL7993025 0.74 NPC1 (0.40) LSSMAPTSIGMAR1ALDH1A1MEN1
SCHEMBL16131783 0.72 LOXL2 (0.52) MC4RMMP2DPP4DPP7DPP8

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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed