SCHEMBL8558985

SCHEMBL8558985

CN(c1ccc2ccccc2c1[N+](=O)[O-])C12CCCN1CCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NCEH1 Q6PIU2 1/20 0.42
CYP3A4 P08684 1/20 0.39
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPRT1 P00492 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
HNF4A P41235 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSB P07858 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL8556306 0.81 KDR (0.34) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL8554052 0.80 LMNA (0.37) CYP3A4NPC1RAB9ALMNAPOLB
SCHEMBL8552834 0.80 NPC1 (0.31) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL8595610 0.71 CTSB (0.39) TSHRALDH1A1SIGMAR1HPRT1LMNA
SCHEMBL8554926 0.68 HSP90AA1 (0.42) TSHRNCEH1CYP3A4HSP90AA1CRHBP
SCHEMBL8555244 0.67 CTSB (0.39) TSHRNCEH1ALDH1A1SIGMAR1RAB9A
SCHEMBL12363753 0.64 TSHR (0.64) TSHRNCEH1CYP3A4HSP90AA1CRHBP
SCHEMBL1710125 0.64 TSHR (1.00) TSHRNCEH1CYP3A4HSP90AA1CRHBP
SCHEMBL3071816 0.64 TSHR (0.62) TSHRNCEH1CYP3A4HSP90AA1CRHBP
SCHEMBL8554676 0.64 RAB9A (0.40) CYP3A4ALDH1A1RAB9AHPRT1LMNA

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 5 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
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed