SCHEMBL8554676

SCHEMBL8554676

O=[N+]([O-])c1ccc2ccccc2c1NCC12CCCN1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 4/20 0.38
CTSB P07858 2/20 0.38
AR P10275 1/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPRT1 P00492 1/20 0.37
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CHRNA7 P36544 1/20 0.34
KCNH2 Q12809 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL8554926 0.81 HSP90AA1 (0.42) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL8555066 0.81 CTSB (0.45) RAB9ACTSBARMAPTMEN1
SCHEMBL8555439 0.81 RAB9A (0.38) RAB9AALDH1A1CTSBARMAPT
SCHEMBL8554050 0.81 RAB9A (0.42) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL8555791 0.78 MAPT (0.47) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL8553639 0.76 TDP1 (0.44) RAB9AALDH1A1CTSBARMAPT
SCHEMBL8555244 0.75 CTSB (0.39) RAB9AALDH1A1CTSBARMAPT
SCHEMBL9564285 0.75 ALDH1A1 (0.55) RAB9AALDH1A1CTSBARMAPT
SCHEMBL5171342 0.74 ALDH1A1 (0.54) ALDH1A1CTSBARMAPTMEN1
SCHEMBL8556050 0.72 CTSB (0.43) ALDH1A1CTSBARMAPTMEN1

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