SCHEMBL8554443

SCHEMBL8554443

CN(CC12CCCN1CCC2)c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.43
AR P10275 2/20 0.43
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
CCR6 P51684 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
SCHEMBL9281848 0.88 MAPT (0.37) CTSBARMAPTALDH1A1MAPK1
SCHEMBL8967666 0.86 ALDH1A1 (0.45) CTSBARMAPTALDH1A1MAPK1
SCHEMBL8967681 0.85 SIGMAR1 (0.40) ARMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL8555244 0.82 CTSB (0.39) CTSBARMAPTALDH1A1MAPK1
SCHEMBL8967617 0.77 TUBB3 (0.38) MAPTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL8968120 0.76 SLC6A3 (0.42) ALDH1A1KDM4ESIGMAR1
SCHEMBL8967753 0.74 SIGMAR1 (0.41) ARMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL8555066 0.74 CTSB (0.45) CTSBARMAPTSMN1; SMN2TDP1
SCHEMBL8967712 0.73 MAPT (0.47) ARMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8556050 0.72 CTSB (0.43) CTSBARMAPTALDH1A1MAPK1

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-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed