SCHEMBL8554926

SCHEMBL8554926

O=[N+]([O-])c1c(NCC23CCCN2CCC3)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.38
NCEH1 Q6PIU2 1/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRNA7 P36544 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 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
SCHEMBL8554676 0.81 RAB9A (0.40) RAB9ACYP3A4LMNATHRBMEN1
SCHEMBL8555066 0.81 CTSB (0.45) RAB9ACYP3A4LMNATHRBMEN1
SCHEMBL8556303 0.81 RAB9A (0.38) RAB9ASCN9ASCN5ALMNATHRB
SCHEMBL8554050 0.81 RAB9A (0.42) RAB9ACYP3A4LMNATHRBMEN1
SCHEMBL8552830 0.80 RAB9A (0.37) RAB9ASCN9ASCN5ALMNATHRB
SCHEMBL8555791 0.78 MAPT (0.47) RAB9ACYP3A4LMNATHRBMEN1
SCHEMBL8553639 0.76 TDP1 (0.44) RAB9ASCN9ASCN5ALMNATHRB
SCHEMBL8553021 0.71 LMNA (0.52) RAB9ALMNATHRBMAPTCHRNA7
SCHEMBL8555094 0.70 HRH3 (0.38) RAB9ASCN9ASCN5AMEN1KMT2A
SCHEMBL9564285 0.70 ALDH1A1 (0.55) TSHRRAB9ALMNAMEN1KMT2A

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