SCHEMBL8967712

SCHEMBL8967712

CN(CC12CCCN1CCC2)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SIGMAR1 Q99720 2/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
MMP14 P50281 1/20 0.38
TP53 P04637 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL8968125 0.87 MAPT (0.51) MAPTLMNATHRBCRHBPCRHR2
SCHEMBL8967681 0.76 SIGMAR1 (0.40) MAPTLMNASIGMAR1MAPK1RAB9A
SCHEMBL8553021 0.73 LMNA (0.52) MAPTLMNATHRBRAB9ATP53
SCHEMBL8554443 0.73 CTSB (0.43) MAPTLMNASIGMAR1MAPK1L3MBTL1
SCHEMBL3567415 0.70 SIGMAR1 (0.65) MAPTLMNACRHBPCRHR2SIGMAR1
SCHEMBL18660127 0.70 MAPT (0.77) MAPTCRHBPCRHR2MAPK1L3MBTL1
SCHEMBL8967906 0.70 ICMT (0.46) MAPTLMNATHRBRAB9AALDH1A1
SCHEMBL3573746 0.69 SIGMAR1 (0.64) MAPTLMNASIGMAR1TDP1ALDH1A1
SCHEMBL5674584 0.69 MAPT (0.69) MAPTCRHBPCRHR2MAPK1L3MBTL1
SCHEMBL27927482 0.68 MAPT (0.68) MAPTCRHBPCRHR2SIGMAR1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US claimed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP claimed
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US disclosed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP disclosed