SCHEMBL5192295

SCHEMBL5192295

CCCCCC(C)NC(=O)CC1CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
DPP7 Q9UHL4 1/20 0.39
FDPS P14324 1/20 0.38
PRCP P42785 2/20 0.37
NOD1 Q9Y239 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5212907 0.78 PRCP (0.54) PRCP
SCHEMBL5193643 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1
SCHEMBL25079322 0.77 CHRM5 (0.41) DPP7FDPSSLC6A2SLC6A4SLC6A3
SCHEMBL5192074 0.75 KMT2A (0.49) FDPSSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL16581667 0.73 SLC6A2 (0.45) CCR2FDPSPRCPSLC6A2SLC6A4
SCHEMBL11766053 0.73 SLC6A2 (0.45) CCR2FDPSPRCPSLC6A2SLC6A4
SCHEMBL16581640 0.73 SLC6A2 (0.45) CCR2FDPSPRCPSLC6A2SLC6A4
SCHEMBL16581652 0.73 SLC6A2 (0.45) CCR2FDPSPRCPSLC6A2SLC6A4
SCHEMBL26004481 0.73 SLC6A2 (0.45) CCR2FDPSPRCPSLC6A2SLC6A4
SCHEMBL25022177 0.72 PRCP (0.61) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed