SCHEMBL8967906

SCHEMBL8967906

O=[N+]([O-])c1ccc(NCCC23CCCN2CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
FKBP1A P62942 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GLA P06280 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8553021 0.87 LMNA (0.52) MAPTLMNATHRBFKBP1AALDH1A1
Hydrochloric Acid SCHEMBL10842012 0.77 ALDH1A1 (0.41) ICMTMAPTLMNAALDH1A1RAB9A
SCHEMBL3585157 0.76 HRH3 (0.60) MAPTLMNAFKBP1AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8968053 0.75 KAT2B (0.51) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL8967682 0.75 POLB (0.47) ICMTLMNASMN1; SMN2MEN1HRH3
SCHEMBL3271959 0.74 HRH3 (0.59) MAPTLMNAFKBP1AALDH1A1SMN1; SMN2
SCHEMBL8968125 0.74 MAPT (0.51) MAPTLMNATHRBALDH1A1RAB9A
SCHEMBL9003269 0.74 MAPT (0.70) MAPTALDH1A1GLASMN1; SMN2RAB9A
SCHEMBL3995356 0.73 HRH3 (0.57) MAPTLMNAALDH1A1GLASMN1; SMN2
SCHEMBL8556050 0.73 CTSB (0.43) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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