SCHEMBL8554052

SCHEMBL8554052

CN(c1c2ccccc2c([N+](=O)[O-])c2ccccc12)C12CCCN1CCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CTSB P07858 2/20 0.36
AR P10275 1/20 0.36
S100A4 P26447 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL8558985 0.80 TSHR (0.45) LMNAPOLBKMT2ACYP3A4GAA
SCHEMBL8555441 0.77 DYRK1A (0.39) POLBKMT2ACTSBARMEN1
SCHEMBL8556306 0.77 KDR (0.34) LMNAPOLBKMT2AS100A4MEN1
SCHEMBL8552834 0.77 NPC1 (0.31) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL8554050 0.70 RAB9A (0.42) LMNAPOLBKMT2ACYP3A4GAA
SCHEMBL8595610 0.68 CTSB (0.39) LMNAKMT2ACTSBARMEN1
SCHEMBL2285808 0.67 CYP3A4 (0.70) LMNACYP3A4CTSBS100A4NPC1
SCHEMBL29674860 0.67 CYP3A4 (0.70) LMNACYP3A4CTSBS100A4NPC1
SCHEMBL19033408 0.62 CYP3A4 (0.57) LMNACYP3A4S100A4NPC1RAB9A
SCHEMBL8554443 0.62 CTSB (0.43) LMNAPOLBKMT2AGAACTSB

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 6 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-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP 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