SCHEMBL8967733

SCHEMBL8967733

N#Cc1ccccc1NCCC12CCCN1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
AR P10275 1/20 0.33
HTR1A P08908 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
SCHEMBL8967669 0.92 TSHR (0.41) KDM4EHPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL8967608 0.86 SMN1; SMN2 (0.49) KDM4EHPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL8967671 0.79 ICMT (0.43) KDM4EALDH1A1KMT2AMEN1SCN5A
SCHEMBL8967641 0.79 SCN5A (0.42) HPGDMAPTSCN5ASCN9ALMNA
SCHEMBL8967649 0.77 CA12 (0.49) KDM4EHPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL8967682 0.75 POLB (0.47) TSHRSMN1; SMN2POLBMEN1LMNA
SCHEMBL10832465 0.74 DRD3 (0.54) KDM4EHPGDTSHRHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL10842012 0.74 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASCN5ASCN9A
SCHEMBL8967660 0.74 ALDH1A1 (0.41) KDM4EHPGDHSD17B10ALDH1A1KMT2A
SCHEMBL10831148 0.73 HRH3 (0.50) KDM4EHPGDTSHRHSD17B10POLB

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