SCHEMBL7364589

SCHEMBL7364589

NC(=O)CC1CCN(C(=O)[CH]Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.40
IDO1 P14902 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL7363740 0.84 GRIN2D (0.44) LMNA
SCHEMBL7361819 0.84 VNN1 (0.38) LMNAMAPTDPP4DPP8DPP9
SCHEMBL7365153 0.75 LMNA (0.36) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL5206416 0.74 MAPT (0.51) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL5206407 0.74 MAPT (0.51) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL28417404 0.69 NPC1 (0.48) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL7365927 0.69 GRIN2D (0.46) LMNAMAPTTDP1
SCHEMBL4096230 0.68 TPSAB1 (0.43) ALDH1A1TDP1KMT2A
SCHEMBL10636212 0.68 SMN1; SMN2 (0.50) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL7361150 0.68 FAAH (0.40) ALDH1A1SMN1; SMN2MAPTKMT2A

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed